4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide

C117H105N15O6 — CID 160858618

IUPAC4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.Cc1ccc(NC(=O)C2CN(C)CCN2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc(C#N)cc1.[C-]#[N+]c1cccc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)c1
InChIInChI=1S/C25H22N2O2.C24H17N3O.2C23H21N3O.C22H24N4O/c1-16-10-20(13-23(11-16)29-3)25(28)27-22-7-4-17(2)24(14-22)19-6-5-18-8-9-26-15-21(18)12-19;1-16-2-9-22(27-24(28)19-5-3-17(14-25)4-6-19)13-23(16)20-8-7-18-10-11-26-15-21(18)12-20;1-16-11-12-20(15-22(16)17-7-5-9-19(13-17)24-2)25-23(27)18-8-6-10-21(14-18)26(3)4;1-16-7-12-20(14-22(16)18-10-8-17(15-24)9-11-18)25-23(27)19-5-4-6-21(13-19)26(2)3;1-15-3-6-19(25-22(27)21-14-26(2)10-9-24-21)12-20(15)17-5-4-16-7-8-23-13-18(16)11-17/h4-15H,1-3H3,(H,27,28);2-13,15H,1H3,(H,27,28);5-15H,1,3-4H3,(H,25,27);4-14H,1-3H3,(H,25,27);3-8,11-13,21,24H,9-10,14H2,1-2H3,(H,25,27)
InChIKeySKEOXDIHXHNOSN-UHFFFAOYSA-N
MW1817.23 g/mol
LogP24.55
Rot. Bonds18

About 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide

4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide (PubChem CID 160858618) has the molecular formula C117H105N15O6 and a molecular weight of 1817.23 g/mol. Its IUPAC name is 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide
PubChem CID160858618
Molecular FormulaC117H105N15O6
Molecular Weight1817.23 g/mol
Exact Mass1815.84
IUPAC Name4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide
SMILESCOc1cc(C)cc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.Cc1ccc(NC(=O)C2CN(C)CCN2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc(C#N)cc1.[C-]#[N+]c1cccc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)c1
InChIInChI=1S/C25H22N2O2.C24H17N3O.2C23H21N3O.C22H24N4O/c1-16-10-20(13-23(11-16)29-3)25(28)27-22-7-4-17(2)24(14-22)19-6-5-18-8-9-26-15-21(18)12-19;1-16-2-9-22(27-24(28)19-5-3-17(14-25)4-6-19)13-23(16)20-8-7-18-10-11-26-15-21(18)12-20;1-16-11-12-20(15-22(16)17-7-5-9-19(13-17)24-2)25-23(27)18-8-6-10-21(14-18)26(3)4;1-16-7-12-20(14-22(16)18-10-8-17(15-24)9-11-18)25-23(27)19-5-4-6-21(13-19)26(2)3;1-15-3-6-19(25-22(27)21-14-26(2)10-9-24-21)12-20(15)17-5-4-16-7-8-23-13-18(16)11-17/h4-15H,1-3H3,(H,27,28);2-13,15H,1H3,(H,27,28);5-15H,1,3-4H3,(H,25,27);4-14H,1-3H3,(H,25,27);3-8,11-13,21,24H,9-10,14H2,1-2H3,(H,25,27)
InChIKeySKEOXDIHXHNOSN-UHFFFAOYSA-N
XLogP24.55
TPSA267.09 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001817.23
LogP ≤ 524.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide with MolForge

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Related Compounds

(E)-3-[3-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]phenyl]prop-2-enoic acid;1-hydroxy-N-(3-isoquinolin-7-yl-4-methylphenyl)pyridin-1-ium-2-carboxamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3,5-dimethoxybenzamide;(2R)-N-(3-isoquinolin-7-yl-4-methylphenyl)-2-(methylamino)-3-phenylpropanamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 158486703
carbon dioxide;1-(cyclohexylamino)-3-isoquinolin-6-ylpropan-2-one;1-[(3-fluorophenyl)methylamino]-3-isoquinolin-6-ylpropan-2-one;1-isoquinolin-6-yl-3-[(3-methoxyphenyl)methylamino]propan-2-one;1-isoquinolin-6-yl-3-[(4-methylphenyl)methylamino]propan-2-one;[3-[[(3-isoquinolin-6-yl-2-oxopropyl)amino]methyl]phenyl] acetate;(E)-1-isoquinolin-6-yl-4-[4-(1-phenylcyclopropanecarbonyl)phenyl]but-3-en-2-one;(E)-N-isoquinolin-6-yl-3-[4-(2-phenylprop-2-enoyl)phenyl]prop-2-enamide;1-isoquinolin-6-yl-3-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-one
CID 159344068
N-[4-[2-(6-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-6-methoxyquinoline-4-carboxamide
CID 44533367
[4-[1-Amino-4-[4-[3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]-2-methoxyphenyl]-3-(isoquinolin-6-ylamino)-1-oxobutan-2-yl]-3-fluorophenyl]methyl benzoate
CID 66614182
N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide
CID 50995230
N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide
CID 50995788
3-[8-[[1-(3-Methoxybenzoyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile
CID 59535013
3-[[3-[4-Amino-5-(aminomethyl)-5,6-bis(isoquinolin-6-ylamino)-2,6-dioxo-1-phenylhexan-3-yl]phenyl]methyl]-2,4-dimethylbenzoic acid;4-methoxybenzoic acid
CID 87578588
N-(3-cyano-4-fluorophenyl)-7-methoxy-2-(2-methylpropyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide;N-(3-cyano-4-fluorophenyl)-2-(2-methylpropyl)-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
CID 122449317
(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 156819266
N-[[4-(2-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-fluorophenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[[4-(3-methoxyphenyl)phenyl]methyl]-N-[1-(3-methylbutyl)piperidin-4-yl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(2-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(3-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide;N-[1-(3-methylbutyl)piperidin-4-yl]-N-[[4-(4-methylphenyl)phenyl]methyl]-5-pentylpyridine-2-carboxamide
CID 157235393
4-[(1-benzylpiperidin-4-ylidene)-(3-methoxyphenyl)methyl]-N,N-diethylbenzamide;N,N-diethyl-4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]benzamide;N,N-diethyl-4-[(3-methoxyphenyl)-piperidin-4-ylidenemethyl]benzamide;N,N-diethyl-4-[piperidin-4-ylidene(quinolin-8-yl)methyl]benzamide;N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide
CID 157327267

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide?
The IUPAC name of 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide (CID 160858618) is 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide?
The canonical SMILES for 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide is COc1cc(C)cc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.Cc1ccc(NC(=O)C2CN(C)CCN2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2ccc(C#N)cc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc(C#N)cc1.[C-]#[N+]c1cccc(-c2cc(NC(=O)c3cccc(N(C)C)c3)ccc2C)c1.
What is the InChIKey of 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide?
The InChIKey is SKEOXDIHXHNOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2.C24H17N3O.2C23H21N3O.C22H24N4O/c1-16-10-20(13-23(11-16)29-3)25(28)27-22-7-4-17(2)24(14-22)19-6-5-18-8-9-26-15-21(18)12-19;1-16-2-9-22(27-24(28)19-5-3-17(14-25)4-6-19)13-23(16)20-8-7-18-10-11-26-15-21(18)12-20;1-16-11-12-20(15-22(16)17-7-5-9-19(13-17)24-2)25-23(27)18-8-6-10-21(14-18)26(3)4;1-16-7-12-20(14-22(16)18-10-8-17(15-24)9-11-18)25-23(27)19-5-4-6-21(13-19)26(2)3;1-15-3-6-19(25-22(27)21-14-26(2)10-9-24-21)12-20(15)17-5-4-16-7-8-23-13-18(16)11-17/h4-15H,1-3H3,(H,27,28);2-13,15H,1H3,(H,27,28);5-15H,1,3-4H3,(H,25,27);4-14H,1-3H3,(H,25,27);3-8,11-13,21,24H,9-10,14H2,1-2H3,(H,25,27).
What are the key properties of 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide?
4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide has a molecular weight of 1817.23 g/mol, XLogP of 24.55, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;N-[3-(4-cyanophenyl)-4-methylphenyl]-3-(dimethylamino)benzamide;3-(dimethylamino)-N-[3-(3-isocyanophenyl)-4-methylphenyl]benzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxy-5-methylbenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-methylpiperazine-2-carboxamide is sourced from PubChem (CID 160858618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).