3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide

C126H106F3N13O7 — CID 160729676

IUPAC3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide
SMILESCC(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.COc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.Cc1cc(C)n(CC(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)n1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C30H21F3N2O.C25H20N2O2.C24H23N3O.C24H20N2O2.C23H22N4O/c1-19-7-11-25(17-27(19)22-9-8-20-13-14-34-18-23(20)15-22)35-29(36)28-16-24(30(31,32)33)10-12-26(28)21-5-3-2-4-6-21;1-16-6-9-23(27-25(29)21-5-3-4-19(12-21)17(2)28)14-24(16)20-8-7-18-10-11-26-15-22(18)13-20;1-16-7-9-20(26-24(28)19-5-4-6-21(14-19)27(2)3)15-22(16)17-8-10-23-18(13-17)11-12-25-23;1-16-6-9-21(26-24(27)19-4-3-5-22(13-19)28-2)14-23(16)18-8-7-17-10-11-25-15-20(17)12-18;1-15-4-7-21(25-23(28)14-27-17(3)10-16(2)26-27)12-22(15)19-6-5-18-8-9-24-13-20(18)11-19/h2-18H,1H3,(H,35,36);3-15H,1-2H3,(H,27,29);4-15,25H,1-3H3,(H,26,28);3-15H,1-2H3,(H,26,27);4-13H,14H2,1-3H3,(H,25,28)
InChIKeyRUEATDLNAAIABK-UHFFFAOYSA-N
MW1971.31 g/mol
LogP29.41
Rot. Bonds20

About 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide

3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide (PubChem CID 160729676) has the molecular formula C126H106F3N13O7 and a molecular weight of 1971.31 g/mol. Its IUPAC name is 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide
PubChem CID160729676
Molecular FormulaC126H106F3N13O7
Molecular Weight1971.31 g/mol
Exact Mass1969.83
IUPAC Name3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide
SMILESCC(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.COc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.Cc1cc(C)n(CC(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)n1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc2[nH]ccc2c1
InChIInChI=1S/C30H21F3N2O.C25H20N2O2.C24H23N3O.C24H20N2O2.C23H22N4O/c1-19-7-11-25(17-27(19)22-9-8-20-13-14-34-18-23(20)15-22)35-29(36)28-16-24(30(31,32)33)10-12-26(28)21-5-3-2-4-6-21;1-16-6-9-23(27-25(29)21-5-3-4-19(12-21)17(2)28)14-24(16)20-8-7-18-10-11-26-15-22(18)13-20;1-16-7-9-20(26-24(28)19-5-4-6-21(14-19)27(2)3)15-22(16)17-8-10-23-18(13-17)11-12-25-23;1-16-6-9-21(26-24(27)19-4-3-5-22(13-19)28-2)14-23(16)18-8-7-17-10-11-25-15-20(17)12-18;1-15-4-7-21(25-23(28)14-27-17(3)10-16(2)26-27)12-22(15)19-6-5-18-8-9-24-13-20(18)11-19/h2-18H,1H3,(H,35,36);3-15H,1-2H3,(H,27,29);4-15,25H,1-3H3,(H,26,28);3-15H,1-2H3,(H,26,27);4-13H,14H2,1-3H3,(H,25,28)
InChIKeyRUEATDLNAAIABK-UHFFFAOYSA-N
XLogP29.41
TPSA260.21 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001971.31
LogP ≤ 529.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

Analyze 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

3-[6-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155177660
3-[5-[7-[4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-7-oxoheptoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162670536
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-7H-pyrido[4,3-c]carbazole-6-carbonyl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7H-pyrido[4,3-c]carbazole-6-carboxamide
CID 15156562
2-[[2-[2-[4-[1-[2-[6-(carboxymethylcarbamoyl)-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-2-yl]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-10-methoxy-7H-pyrido[4,3-c]carbazol-2-ium-6-carbonyl]amino]acetic acid;bis(2,2,2-trifluoroacetate);bis(2,2,2-trifluoroacetic acid)
CID 44379901
N-[2-[4-[[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]propyl-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 177647016
[(2R)-2-(1H-indol-3-ylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 69417092
[(2R)-2-(1H-indol-3-ylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 69417093
[(2R)-4-[2-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl]-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-[3-methoxy-5-(trifluoromethyl)phenyl]methanone
CID 90706912
2-(2,6-Dioxopiperidin-3-yl)-5-[5-[4-[3-[5-(5-methylpyrido[4,3-b]indol-7-yl)-3-(trifluoromethyl)pyridin-2-yl]propyl]piperazin-1-yl]pentoxy]isoindole-1,3-dione
CID 134481502
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137114089
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137115406
2-[5-[6-[4-[4-[8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]-6-oxohexoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 155177715

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide (CID 160729676) is 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide is CC(=O)c1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.COc1cccc(C(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)c1.Cc1cc(C)n(CC(=O)Nc2ccc(C)c(-c3ccc4ccncc4c3)c2)n1.Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2-c2ccccc2)cc1-c1ccc2ccncc2c1.Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-c1ccc2[nH]ccc2c1.
What is the InChIKey of 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide?
The InChIKey is RUEATDLNAAIABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21F3N2O.C25H20N2O2.C24H23N3O.C24H20N2O2.C23H22N4O/c1-19-7-11-25(17-27(19)22-9-8-20-13-14-34-18-23(20)15-22)35-29(36)28-16-24(30(31,32)33)10-12-26(28)21-5-3-2-4-6-21;1-16-6-9-23(27-25(29)21-5-3-4-19(12-21)17(2)28)14-24(16)20-8-7-18-10-11-26-15-22(18)13-20;1-16-7-9-20(26-24(28)19-5-4-6-21(14-19)27(2)3)15-22(16)17-8-10-23-18(13-17)11-12-25-23;1-16-6-9-21(26-24(27)19-4-3-5-22(13-19)28-2)14-23(16)18-8-7-17-10-11-25-15-20(17)12-18;1-15-4-7-21(25-23(28)14-27-17(3)10-16(2)26-27)12-22(15)19-6-5-18-8-9-24-13-20(18)11-19/h2-18H,1H3,(H,35,36);3-15H,1-2H3,(H,27,29);4-15,25H,1-3H3,(H,26,28);3-15H,1-2H3,(H,26,27);4-13H,14H2,1-3H3,(H,25,28).
What are the key properties of 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide?
3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide has a molecular weight of 1971.31 g/mol, XLogP of 29.41, 20 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-isoquinolin-7-yl-4-methylphenyl)benzamide;3-(dimethylamino)-N-[3-(1H-indol-5-yl)-4-methylphenyl]benzamide;2-(3,5-dimethylpyrazol-1-yl)-N-(3-isoquinolin-7-yl-4-methylphenyl)acetamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-3-methoxybenzamide;N-(3-isoquinolin-7-yl-4-methylphenyl)-2-phenyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 160729676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).