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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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1 – 15 of 96 results
1

Hydralazine Hydrochloride, TRC

CAS: 304-20-1 Molecular Formula: C8 H8 N4 . Cl H Molecular Weight (g/mol): 196.64 Synonym: Hydralazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1(2H)-Phthalazinone, hydrazone, monohydrochloride,Phthalazine, 1-hydrazino-, monohydrochloride,(Phthalazin-1-yl)hydrazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1-Hydrazinophthalazine monohydrochloride,Apresoline hydrochloride,Apulon,Hydralazine chloride,Hydralazine hydrochloride,Hydralazine monohydrochloride,Lopres IUPAC Name: phthalazin-1-ylhydrazine;hydrochloride

CAS 304-20-1
Molecular Weight (g/mol) 196.64
Synonym Hydralazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1(2H)-Phthalazinone, hydrazone, monohydrochloride,Phthalazine, 1-hydrazino-, monohydrochloride,(Phthalazin-1-yl)hydrazine hydrochloride,1-Hydrazinophthalazine hydrochloride,1-Hydrazinophthalazine monohydrochloride,Apresoline hydrochloride,Apulon,Hydralazine chloride,Hydralazine hydrochloride,Hydralazine monohydrochloride,Lopres
IUPAC Name phthalazin-1-ylhydrazine;hydrochloride
Molecular Formula C8 H8 N4 . Cl H
2

Azadiradione (~90%), TRC

CAS: 26241-51-0 Molecular Formula: C28 H34 O5 Molecular Weight (g/mol): 450.57 Synonym: (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione IUPAC Name: [(5R,7R,8R,9R,10R,13S,17R)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate SMILES: CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5

CAS 26241-51-0
Molecular Weight (g/mol) 450.57
SMILES CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)C=C4[C@]13C)c5cocc5
Synonym (5α,7α,13α,17α)-7-(Acetyloxy)-21,23-epoxy-4,4,8-trimethyl-24-norchola-1,14,20,22-tetraene-3,16-dione
IUPAC Name [(5R,7R,8R,9R,10R,13S,17R)-17-(3-furyl)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
Molecular Formula C28 H34 O5
3

2-Ethenyl-3,4-dihydroquinazolin-4-one, TRC

CAS: 91634-12-7 Molecular Formula: C10H8N2O Molecular Weight (g/mol): 172.18 IUPAC Name: 2-ethenyl-3H-quinazolin-4-one SMILES: Oc1nc(C=C)nc2ccccc12

CAS 91634-12-7
Molecular Weight (g/mol) 172.18
SMILES Oc1nc(C=C)nc2ccccc12
IUPAC Name 2-ethenyl-3H-quinazolin-4-one
Molecular Formula C10H8N2O
4

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
5

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
6

Azelastine N-Oxide (Mixture of Diastereomers), TRC

CAS: 640279-88-5 Molecular Formula: C22 H24 Cl N3 O2 Molecular Weight (g/mol): 397.9 Synonym: 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide IUPAC Name: 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one SMILES: C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O

CAS 640279-88-5
Molecular Weight (g/mol) 397.9
SMILES C[N+]1([O-])CCCC(CC1)N2N=C(Cc3ccc(Cl)cc3)c4ccccc4C2=O
Synonym 1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1-oxido-1H-azepin-4-yl)-,Azelastine N-Oxide
IUPAC Name 4-[(4-chlorophenyl)methyl]-2-(1-methyl-1-oxidoazepan-1-ium-4-yl)phthalazin-1-one
Molecular Formula C22 H24 Cl N3 O2
7

Brimonidine-2,3-dione, TRC

CAS: 182627-95-8 Molecular Formula: C11 H10 Br N5 O2 Molecular Weight (g/mol): 324.13 Synonym: 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione SMILES: Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13

CAS 182627-95-8
Molecular Weight (g/mol) 324.13
SMILES Brc1c(NC2=NCCN2)ccc3NC(=O)C(=O)Nc13
Synonym 2,3-Quinoxalinedione, 5-bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydro-2,3-quinoxalinedione,5-Bromo-6-[(4,5-dihydro-1H-imidazol-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
IUPAC Name 5-bromo-6-(4,5-dihydro-1H-imidazol-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
Molecular Formula C11 H10 Br N5 O2
9

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
10

2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C, TRC

CAS: 209977-58-2 Molecular Formula: 13C C10 H11 N5 Molecular Weight (g/mol): 214.23 Synonym: 3H-Imidazo[4,5-f]quinoxalin-2-amine-2-13C, 3,8-dimethyl- (9CI),3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine-2-13C,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C IUPAC Name: 3,8-dimethyl(2^{13}C)imidazolo[4,5-f]quinoxalin-2-amine SMILES: Cc1cnc2ccc3c(n[13c](N)n3C)c2n1

CAS 209977-58-2
Molecular Weight (g/mol) 214.23
SMILES Cc1cnc2ccc3c(n[13c](N)n3C)c2n1
Synonym 3H-Imidazo[4,5-f]quinoxalin-2-amine-2-13C, 3,8-dimethyl- (9CI),3,8-Dimethyl-3H-imidazo[4,5-f]quinoxalin-2-amine-2-13C,2-Amino-3,8-dimethylimidazo[4,5-f]quinoxaline-2-13C
IUPAC Name 3,8-dimethyl(2^{13}C)imidazolo[4,5-f]quinoxalin-2-amine
Molecular Formula 13C C10 H11 N5
11

Lapatinib, TRC

CAS: 231277-92-2 Molecular Formula: C29 H26 Cl F N4 O4 S Molecular Weight (g/mol): 581.06 Synonym: 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb IUPAC Name: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine SMILES: CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2

CAS 231277-92-2
Molecular Weight (g/mol) 581.06
SMILES CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2
Synonym 4-Quinazolinamine, N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinamine,4-[[3-Chloro-4-(3-fluorobenzyloxy)phenyl]amino]-6-[5-[[(2-methanesulfonylethyl)amino]methyl]furan-2-yl]quinazoline,GSK 572016,GW 572016,GW 572016X,Lapatinib,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methanesulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorobenzyl)oxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furyl]-4-quinazolinamine,N-[3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine,N-[4-(3-Fluorobenzyloxy)-3-chlorophenyl]-6-[5-[[2-(methylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine,Tyverb
IUPAC Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
Molecular Formula C29 H26 Cl F N4 O4 S
12

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
13

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
14

Albaconazole, TRC

CAS: 187949-02-6 Molecular Formula: C20 H16 Cl F2 N5 O2 Molecular Weight (g/mol): 431.82 IUPAC Name: 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one SMILES: C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F

CAS 187949-02-6
Molecular Weight (g/mol) 431.82
SMILES C[C@@H](N1C=Nc2cc(Cl)ccc2C1=O)[C@](O)(Cn3cncn3)c4ccc(F)cc4F
IUPAC Name 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
Molecular Formula C20 H16 Cl F2 N5 O2
15

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