1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene

C222H209Cl5F2N26O5 — CID 159286747

IUPAC1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
SMILESCOc1ccc(C)c(C(=O)Nc2ccncc2)c1.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1ccc(F)c(C(N)=NO)c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cccc2cc(Cl)ccc12.Cc1cccc2ccc(Cl)cc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1
InChIInChI=1S/C14H14N2O2.C12H11NO.C12H13N.5C11H9Cl.C11H9F.C11H11N3O.C11H13N3.4C10H9N.C9H8N2.C8H9FN2O.4C8H8N2.C7H8/c1-10-3-4-12(18-2)9-13(10)14(17)16-11-5-7-15-8-6-11;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-3-2-4-9-5-6-10(12)7-11(8)9;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-5-2-3-7(9)6(4-5)8(10)11-12;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7/h3-9H,1-2H3,(H,15,16,17);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;6*2-7H,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);4*2-7H,1H3;2-6H,1H3;2-4,12H,1H3,(H2,10,11);4*2-5H,1H3,(H,9,10);2-6H,1H3
InChIKeyKZPKREVOZZJWKE-UHFFFAOYSA-N
MW3536.55 g/mol
LogP55.43
Rot. Bonds8

About 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene

1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene (PubChem CID 159286747) has the molecular formula C222H209Cl5F2N26O5 and a molecular weight of 3536.55 g/mol. Its IUPAC name is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene.

Molecular Properties

Compound Name1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
PubChem CID159286747
Molecular FormulaC222H209Cl5F2N26O5
Molecular Weight3536.55 g/mol
Exact Mass3531.53
IUPAC Name1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene
SMILESCOc1ccc(C)c(C(=O)Nc2ccncc2)c1.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1ccc(F)c(C(N)=NO)c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cccc2cc(Cl)ccc12.Cc1cccc2ccc(Cl)cc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1
InChIInChI=1S/C14H14N2O2.C12H11NO.C12H13N.5C11H9Cl.C11H9F.C11H11N3O.C11H13N3.4C10H9N.C9H8N2.C8H9FN2O.4C8H8N2.C7H8/c1-10-3-4-12(18-2)9-13(10)14(17)16-11-5-7-15-8-6-11;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-3-2-4-9-5-6-10(12)7-11(8)9;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-5-2-3-7(9)6(4-5)8(10)11-12;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7/h3-9H,1-2H3,(H,15,16,17);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;6*2-7H,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);4*2-7H,1H3;2-6H,1H3;2-4,12H,1H3,(H2,10,11);4*2-5H,1H3,(H,9,10);2-6H,1H3
InChIKeyKZPKREVOZZJWKE-UHFFFAOYSA-N
XLogP55.43
TPSA517.93 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds8
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003536.55
LogP ≤ 555.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene with MolForge

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Related Compounds

2-tert-butyl-1H-benzimidazole;1-tert-butyl-4-chloro-2-methoxy-5-methylbenzene;2-tert-butyl-4-chloro-1-methylbenzene;6-tert-butyl-1,3-dihydroindol-2-one;1-(3-tert-butyl-2-hydroxynaphthalen-1-yl)-2-phenylethanone;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 158898147
1-[3-[2-(6-amino-3-pyridinyl)ethynyl]-4-chlorophenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-fluoro-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methoxy-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methyl-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-3H-pyrazol-1-ium-1-yl]ethanol;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;methane;4-methyl-3-[2-[5-(methylamino)-3-pyridinyl]ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 159369175
2-chloro-1-methoxy-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylphenol;1,3-dimethyl-5-propan-2-ylbenzene;4,5-di(propan-2-yl)-1H-pyrazole;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;2-fluoro-3-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;1-methoxy-4-methyl-2-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylphenol;2-methyl-6-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;4-phenyl-2-propan-2-ylpyridine;2-propan-2-ylbenzonitrile;2-propan-2-yl-1H-indole;1-(3-propan-2-ylphenyl)ethanone;3-(2-propan-2-ylphenyl)pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;7-propan-2-ylquinoline;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 160281062
3-[[4-[1-[3-[2-chloro-5-(trifluoromethyl)phenyl]-5-(7-methoxyquinolin-3-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxyquinolin-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid;3-[[4-[[3-(3,5-dichlorophenyl)-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid;3-[[4-[[3-(3,4-dichlorophenyl)-5-[7-(trifluoromethyl)quinolin-3-yl]pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid
CID 161106392
1-[3-[2-(6-amino-3-pyridinyl)ethynyl]-4-chlorophenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-fluoro-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methoxy-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;1-[4-chloro-3-[2-(2-methyl-3-pyridinyl)ethynyl]phenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1H-indazol-3-yl]ethenyl]-3H-pyrazol-1-ium-1-yl]ethanol;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[2-[5-(methylamino)-3-pyridinyl]ethynyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 161398503
1-tert-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;1,4-dichloro-2-methyl-5-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;1-hydroxy-2-propan-2-ylpyridin-1-ium;1-isocyano-2-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methyl-3-(2-methylpropyl)pyrazole;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;6-methyl-2-propan-2-yl-1H-benzimidazole;4-methyl-2-propan-2-ylpyridine;bis(5-methyl-2-propan-2-ylpyridine);bis(4-methyl-2-propan-2-yl-1H-pyrimidin-6-one);1-methyl-3-propan-2-yl-5-(trifluoromethyl)benzene;2-methylpropylbenzene;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;propan-2-ylcyclohexane;(4-propan-2-ylphenyl)methanol;8-propan-2-ylquinoline
CID 161469715
1-tert-butylbenzimidazole;4-tert-butyl-8-chloro-7-methoxy-2-pyridin-2-ylquinoline;2-tert-butyl-3,4-dihydro-1H-isoquinoline;1-tert-butyl-6-methoxyisoquinoline;4-tert-butyl-7-methoxy-2-phenylquinoline;3-tert-butylpyridazine;2-tert-butylpyridazin-3-one;3-(5-chloro-2-propan-2-ylphenyl)-5-methyl-1H-pyrazole;1-(3,3-dimethylbutan-2-yl)naphthalene;3-methylbutylbenzene;1-(4-methyl-2-propan-2-ylphenyl)pyrrole;1-(3-piperidin-1-yl-2-propan-2-ylphenyl)ethanone;1-[2-propan-2-yl-4-(trifluoromethyl)phenyl]pyrrole
CID 162055770
4-[2-chloro-4-[[5-chloro-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-fluoro-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(1-methylpyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide;4-[4-[[5-chloro-4-[(5-phenyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]-N-methylbenzamide
CID 157289359
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-fluoro-3-methylbenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methoxybenzamide;N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]quinoline-8-carboxamide;N-[5-[6-[(tert-butylamino)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2-fluoro-6-methyl-N-[5-[6-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 157328788
N-[5-chloro-2-[[2-fluoro-5-methyl-4-(4-propanoylphenyl)phenyl]methyl]pyrimidin-4-yl]-N-quinolin-3-ylacetamide;1-[4-[4-[[5-chloro-4-(2H-indazol-3-ylmethyl)pyrimidin-2-yl]methyl]-5-fluoro-2-methylphenyl]phenyl]propan-1-one;4-[5-methoxy-2-methyl-4-[[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-methylbenzamide
CID 157392376
1-[4-[6-chloro-2-cyclopenta-1,3-dien-1-yl-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-[5-(difluoromethyl)-2-fluorophenyl]-8-fluoroquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[6-chloro-7-(2,4-difluorophenyl)-8-methoxyquinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one;(E)-1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]pent-2-en-1-one;1-[4-[6-chloro-2-(methylamino)-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 157439999
1-[4-[4-(1,3-benzodioxol-5-yl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]ethanone;1-[4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]phenyl]ethanone;6-[2-tert-butyl-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline;2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylpteridin-4-amine;1-[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-6-yl]ethanone;hydrochloride
CID 157557281

Frequently Asked Questions

What is the IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene?
The IUPAC name of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene (CID 159286747) is 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene.
What is the SMILES notation for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene?
The canonical SMILES for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene is COc1ccc(C)c(C(=O)Nc2ccncc2)c1.Cc1cc2c(N)nccc2cc1C(N)=O.Cc1cc2c(N)nccc2cc1CN.Cc1cc2ccccc2cc1C(N)=O.Cc1cc2ccccc2cc1CN.Cc1cc2ccccc2cc1Cl.Cc1cc2ccccc2cc1F.Cc1ccc(F)c(C(N)=NO)c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cc(Cl)ccc2c1.Cc1ccc2ccc(Cl)cc2c1.Cc1ccc2cccnc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2nc[nH]c2c1.Cc1ccc2ncccc2c1.Cc1ccc2nccnc2c1.Cc1cccc2cc(Cl)ccc12.Cc1cccc2ccc(Cl)cc12.Cc1ccccc1.Cc1ccnc2ccccc12.Cc1cnc2ccccc2c1.
What is the InChIKey of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene?
The InChIKey is KZPKREVOZZJWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2.C12H11NO.C12H13N.5C11H9Cl.C11H9F.C11H11N3O.C11H13N3.4C10H9N.C9H8N2.C8H9FN2O.4C8H8N2.C7H8/c1-10-3-4-12(18-2)9-13(10)14(17)16-11-5-7-15-8-6-11;1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14;1-9-6-10-4-2-3-5-11(10)7-12(9)8-13;1-8-2-3-10-7-11(12)5-4-9(10)6-8;1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-8-3-2-4-9-7-10(12)5-6-11(8)9;1-8-3-2-4-9-5-6-10(12)7-11(8)9;2*1-8-6-9-4-2-3-5-10(9)7-11(8)12;1-6-4-9-7(2-3-14-10(9)12)5-8(6)11(13)15;1-7-4-10-8(5-9(7)6-12)2-3-14-11(10)13;1-8-4-5-10-9(7-8)3-2-6-11-10;1-8-4-5-9-3-2-6-11-10(9)7-8;1-8-6-9-4-2-3-5-10(9)11-7-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-7-2-3-8-9(6-7)11-5-4-10-8;1-5-2-3-7(9)6(4-5)8(10)11-12;1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-8(4-6)10-5-9-7;1-6-2-3-7-5-9-10-8(7)4-6;1-7-5-3-2-4-6-7/h3-9H,1-2H3,(H,15,16,17);2-7H,1H3,(H2,13,14);2-7H,8,13H2,1H3;6*2-7H,1H3;2-5H,1H3,(H2,12,14)(H2,13,15);2-5H,6,12H2,1H3,(H2,13,14);4*2-7H,1H3;2-6H,1H3;2-4,12H,1H3,(H2,10,11);4*2-5H,1H3,(H,9,10);2-6H,1H3.
What are the key properties of 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene?
1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene has a molecular weight of 3536.55 g/mol, XLogP of 55.43, 8 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-methylisoquinoline-6-carboxamide;6-(aminomethyl)-7-methylisoquinolin-1-amine;2-chloro-3-methylnaphthalene;2-chloro-6-methylnaphthalene;2-chloro-7-methylnaphthalene;6-chloro-1-methylnaphthalene;7-chloro-1-methylnaphthalene;2-fluoro-N'-hydroxy-5-methylbenzenecarboximidamide;2-fluoro-3-methylnaphthalene;5-methoxy-2-methyl-N-pyridin-4-ylbenzamide;bis(6-methyl-1H-benzimidazole);5-methyl-1H-indazole;6-methyl-1H-indazole;3-methylnaphthalene-2-carboxamide;(3-methylnaphthalen-2-yl)methanamine;3-methylquinoline;4-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;toluene is sourced from PubChem (CID 159286747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).