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Diazanaphthalenes

Organic heterocyclic compounds that consist of a naphthalene double ring in which two of the carbon atoms have been replaced with nitrogen atoms.
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Percent Purity 
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Percent Purity

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1

7-Methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4(3H)-one, TRC

CAS: 199327-61-2 Molecular Formula: C16 H21 N3 O4 Molecular Weight (g/mol): 319.36 Synonym: 4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-,4(1H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]- (9CI),7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone,7-Methoxy-6-(3-(morpholin-4-yl)propoxy)-3H-quinazolin-4-one,7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one,7-Methoxy-6-[3-(4-morpholinyl)propoxy]quinazolin-4(3H)-one,Gefitinib Imp. A (EP) IUPAC Name: 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one SMILES: COc1cc2N=CNC(=O)c2cc1OCCCN3CCOCC3

CAS 199327-61-2
Molecular Weight (g/mol) 319.36
SMILES COc1cc2N=CNC(=O)c2cc1OCCCN3CCOCC3
Synonym 4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-,4(1H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]- (9CI),7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone,7-Methoxy-6-(3-(morpholin-4-yl)propoxy)-3H-quinazolin-4-one,7-Methoxy-6-(3-morpholinopropoxy)-3,4-dihydroquinazolin-4-one,7-Methoxy-6-[3-(4-morpholinyl)propoxy]quinazolin-4(3H)-one,Gefitinib Imp. A (EP)
IUPAC Name 7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
Molecular Formula C16 H21 N3 O4
2

Halofuginone Hydrobromide, TRC

CAS: 64924-67-0 Molecular Formula: C16 H17 Br Cl N3 O3 . Br H Molecular Weight (g/mol): 495.59 Synonym: 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-(±)-,4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, monohydrobromide, rel- (9CI),4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-,Halofuginone hydrobromide,RU 19110,Stenorol IUPAC Name: 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrobromide SMILES: Br.O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O

CAS 64924-67-0
Molecular Weight (g/mol) 495.59
SMILES Br.O[C@@H]1CCCN[C@H]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O
Synonym 4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-(±)-,4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidinyl]-2-oxopropyl]-, monohydrobromide, rel- (9CI),4(3H)-Quinazolinone, 7-bromo-6-chloro-3-[3-(3-hydroxy-2-piperidinyl)-2-oxopropyl]-, monohydrobromide, trans-,Halofuginone hydrobromide,RU 19110,Stenorol
IUPAC Name 7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrobromide
Molecular Formula C16 H17 Br Cl N3 O3 . Br H
3

4,5-Didehydro Brimonidine, TRC

CAS: 151110-15-5 Molecular Formula: C11 H8 Br N5 Molecular Weight (g/mol): 290.1187 Synonym: 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F IUPAC Name: 5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine SMILES: Brc1c(Nc2ncc[nH]2)ccc3nccnc13

CAS 151110-15-5
Molecular Weight (g/mol) 290.1187
SMILES Brc1c(Nc2ncc[nH]2)ccc3nccnc13
Synonym 5-Bromo-N-1H-imidazol-2-yl-6-quinoxalinamine,5-Bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine,Brimonidine EP Impurity F
IUPAC Name 5-bromo-N-(1H-imidazol-2-yl)quinoxalin-6-amine
Molecular Formula C11 H8 Br N5
4

Lapatinib Ditosylate, TRC

CAS: 388082-77-7 Molecular Formula: C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S Molecular Weight (g/mol): 925.46 Synonym: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate (1:2),4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate) (9CI),GW 572016F,Lapatinib ditosylate,Tykerb IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid SMILES: Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

CAS 388082-77-7
Molecular Weight (g/mol) 925.46
SMILES Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.CS(=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4
Synonym 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, 4-methylbenzenesulfonate (1:2),4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-, bis(4-methylbenzenesulfonate) (9CI),GW 572016F,Lapatinib ditosylate,Tykerb
IUPAC Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
Molecular Formula C29 H26 Cl F N4 O4 S . 2 C7 H8 O3 S
5

2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline, TRC

CAS: 77500-04-0 Molecular Formula: C11 H11 N5 Molecular Weight (g/mol): 213.24 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx IUPAC Name: 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine SMILES: Cc1cnc2ccc3c(nc(N)n3C)c2n1

CAS 77500-04-0
Molecular Weight (g/mol) 213.24
SMILES Cc1cnc2ccc3c(nc(N)n3C)c2n1
Synonym 3H-Imidazo[4,5-f]quinoxalin-2-amine, 3,8-dimethyl-,3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline,2-Amino-3,8-dimethylmidazo[4,5-f]quinoxaline,MeIQx
IUPAC Name 3,8-dimethylimidazo[4,5-f]quinoxalin-2-amine
Molecular Formula C11 H11 N5
6

Olaquindox, TRC

CAS: 23696-28-8 Molecular Formula: C12 H13 N3 O4 Molecular Weight (g/mol): 263.25 Synonym: 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox IUPAC Name: N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide SMILES: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]

CAS 23696-28-8
Molecular Weight (g/mol) 263.25
SMILES Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
Synonym 2-[N-(2-Hydroxyethyl)carboxamide]-3-methylquinoxaline 1,4-dioxide,Bayernox,BayoNox,Bisergon,NSC 634933,Olaquindox
IUPAC Name N-(2-hydroxyethyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide
Molecular Formula C12 H13 N3 O4
7

Cinoxacin, TRC

CAS: 28657-80-9 Molecular Formula: C12 H10 N2 O5 Molecular Weight (g/mol): 262.22 Synonym: [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm IUPAC Name: 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid SMILES: CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12

CAS 28657-80-9
Molecular Weight (g/mol) 262.22
SMILES CCN1N=C(C(=O)O)C(=O)c2cc3OCOc3cc12
Synonym [1,3]Dioxolo[4,5-g]cinnoline-3-carboxylic acid, 1-ethyl-1,4-dihydro-4-oxo-,1-Ethyl-3-carboxy-6,7-methylenedioxy-4-cinnolone,Cinobac,Cinobactin,Cinoxacin,Compound 64716,NSC 304467,Noxigram,Uronorm
IUPAC Name 1-ethyl-4-oxo-[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid
Molecular Formula C12 H10 N2 O5
8

4-[(4-Chlorophenyl)methyl]-2-[2-(1-methyl-2-pyrrolidinyl)ethyl]-1(2H)-phthalazinone Hydrochloride, TRC

CAS: 117078-70-3 Molecular Formula: C22H24ClN3O . HCl Molecular Weight (g/mol): 381.9 Synonym: Azelastine 5-Member-Cyclic-Isomer Hcl IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one SMILES: Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

CAS 117078-70-3
Molecular Weight (g/mol) 381.9
SMILES Cl.CN1CCCC1CCN2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Synonym Azelastine 5-Member-Cyclic-Isomer Hcl
IUPAC Name 4-[(4-chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
Molecular Formula C22H24ClN3O . HCl
9

O-Desmorpholinopropyl Gefitinib, TRC

CAS: 184475-71-6 Molecular Formula: C15 H11 Cl F N3 O2 Molecular Weight (g/mol): 319.72 Synonym: 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib IUPAC Name: 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O

CAS 184475-71-6
Molecular Weight (g/mol) 319.72
SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O
Synonym 6-Quinazolinol, 4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-,4-[(3-Chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinol,4-(3-Chloro-4-fluoroanilino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-6-hydroxy-7-methoxyquinazoline,4-(3-Chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol,N-(3-Chloro-4-fluorophenyl)-6-hydroxy-7-methoxyquinazolin-4-amine,O-Desmorpholinopropyl Gefitinib
IUPAC Name 4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-ol
Molecular Formula C15 H11 Cl F N3 O2
10

6-Iodoquinazolin-4-one, TRC

CAS: 16064-08-7 Molecular Formula: C8H5IN2O Molecular Weight (g/mol): 272.05 Synonym: 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol SMILES: Ic1ccc2NC=NC(=O)c2c1

CAS 16064-08-7
Molecular Weight (g/mol) 272.05
SMILES Ic1ccc2NC=NC(=O)c2c1
Synonym 6-Iodo-4(3H)-quinazolinone,6-Iodo-4(1H)-quinazolinone,6-Iodo-4-quinazolinol,6-Iodo-1H-quinazolin-4-one,6-Iodo-3,4-dihydroquinazolin-4-one,6-Iodo-3H-quinazolin-4-one,6-Iodo-4(3H)-quinazolinone,6-Iodo-4-quinazolone,6-Iodoquinazolin-4-ol
Molecular Formula C8H5IN2O
11

6-Amino-5-bromoquinoxaline, TRC

CAS: 50358-63-9 Molecular Formula: C8 H6 Br N3 Molecular Weight (g/mol): 224.06 Synonym: 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline IUPAC Name: 5-bromoquinoxalin-6-amine SMILES: Nc1ccc2nccnc2c1Br

CAS 50358-63-9
Molecular Weight (g/mol) 224.06
SMILES Nc1ccc2nccnc2c1Br
Synonym 5-Bromo-6-quinoxalinamine,5-Bromo-6-aminoquinoxaline,5-Bromoquinoxalin-6-amine,6-Amino-5-bromoquinoxaline
IUPAC Name 5-bromoquinoxalin-6-amine
Molecular Formula C8 H6 Br N3
12

6,7-Dimethoxyquinazoline-2,4-dione, TRC

CAS: 28888-44-0 Molecular Formula: C10 H10 N2 O4 Molecular Weight (g/mol): 222.2 Synonym: 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione IUPAC Name: 6,7-dimethoxy-1H-quinazoline-2,4-dione SMILES: COc1cc2NC(=O)NC(=O)c2cc1OC

CAS 28888-44-0
Molecular Weight (g/mol) 222.2
SMILES COc1cc2NC(=O)NC(=O)c2cc1OC
Synonym 6,7-Dimethoxyquinazoline-2,4(1H,3H)-dione,Doxazosin Mesilate Imp. D (EP),2,4(1H,3H)-Quinazolinedione, 6,7-dimethoxy-,6,7-Dimethoxy-2,4(1H,3H)-quinazolinedione,2,5-Dihydroxy-6,7-dimethoxyquinazoline,6,7-Dimethoxy-1H-quinazoline-2,4-dione,6,7-Dimethoxyquinazoline-2,4-diol,6,7-Dimethoxyquinazoline-2,4-dione
IUPAC Name 6,7-dimethoxy-1H-quinazoline-2,4-dione
Molecular Formula C10 H10 N2 O4
13

Ophthazin Sulfate, TRC

CAS: 7327-87-9 Molecular Formula: C8 H10 N6 . H2 O4 S Molecular Weight (g/mol): 288.28 Synonym: Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin IUPAC Name: (Z)-[(4Z)-4-hydrazinylidene-2,3-dihydrophthalazin-1-ylidene]hydrazine;sulfuric acid SMILES: N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O

CAS 7327-87-9
Molecular Weight (g/mol) 288.28
SMILES N\N=C\1/NN\C(=N/N)\c2ccccc12.OS(=O)(=O)O
Synonym Phthalazine, 1,4-dihydrazinyl-, sulfate (1:1),1,4-Phthalazinedione, 2,3-dihydro-, dihydrazone, sulfate (1:1) (9CI),Phthalazine, 1,4-dihydrazino-, sulfate (1:1) (8CI),1,4-Dihydrazinophthalazine sulfate,Depressan,Dihydralazine sulfate,Dihydrazinophthalazine sulfate,Dihyzin
IUPAC Name (Z)-[(4Z)-4-hydrazinylidene-2,3-dihydrophthalazin-1-ylidene]hydrazine;sulfuric acid
Molecular Formula C8 H10 N6 . H2 O4 S
14

3-(Phenylmethyl)-2-[(1E)-2-(3-pyridinyl)ethenyl]-4(3H)-quinazolinone, TRC

CAS: 1290541-46-6 Molecular Formula: C12 H17 N3 O6 Molecular Weight (g/mol): 299.28 Synonym: BO 2 IUPAC Name: ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate SMILES: CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N

CAS 1290541-46-6
Molecular Weight (g/mol) 299.28
SMILES CCOC(=O)C1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)N=C1N
Synonym BO 2
IUPAC Name ethyl 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidine-5-carboxylate
Molecular Formula C12 H17 N3 O6
15

Afatinib-des(4-dimethylamino-2-en-1-oxo)butyl (Contained ~8.5% Ethanol), TRC

CAS: 314771-76-1 Molecular Formula: C18H16ClFN4O2 Molecular Weight (g/mol): 374.8 Synonym: N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine SMILES: ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1

CAS 314771-76-1
Molecular Weight (g/mol) 374.8
SMILES ClC1=C(F)C=CC(NC2=NC=NC3=CC(O[C@H]4CCOC4)=C(N)C=C32)=C1
Synonym N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine,(S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine,Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib
IUPAC Name 4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
Molecular Formula C18H16ClFN4O2