4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide

C137H142N12O25 — CID 157197682

IUPAC4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide
SMILESC=C(c1ccccc1)c1cccc(CNC(=O)CCC(=O)c2ccc(OC)c(OC)c2)c1.C=C1NC(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)=Cc2ccccc21.CCOc1ccc(C(=O)CCC(=O)Nc2cc3ccccc3n2C)cc1OC.CCOc1ccc(C(=O)CCC(=O)Nc2nc3cc(C)ccc3n2CCOC)cc1OC.COc1ccc(C(=O)CCC(=O)Nc2ccc3ccccc3n2)cc1OC.COc1ccc(C(=O)CCC(=O)Nc2nccc3ccccc23)cc1OC
InChIInChI=1S/C27H27NO4.C24H29N3O5.C22H22N2O4.C22H24N2O4.2C21H20N2O4/c1-19(21-9-5-4-6-10-21)22-11-7-8-20(16-22)18-28-27(30)15-13-24(29)23-12-14-25(31-2)26(17-23)32-3;1-5-32-21-10-7-17(15-22(21)31-4)20(28)9-11-23(29)26-24-25-18-14-16(2)6-8-19(18)27(24)12-13-30-3;1-14-17-7-5-4-6-15(17)13-21(23-14)24-22(26)11-9-18(25)16-8-10-19(27-2)20(12-16)28-3;1-4-28-19-11-9-16(13-20(19)27-3)18(25)10-12-22(26)23-21-14-15-7-5-6-8-17(15)24(21)2;1-26-18-10-7-15(13-19(18)27-2)17(24)9-12-21(25)23-20-11-8-14-5-3-4-6-16(14)22-20;1-26-18-9-7-15(13-19(18)27-2)17(24)8-10-20(25)23-21-16-6-4-3-5-14(16)11-12-22-21/h4-12,14,16-17H,1,13,15,18H2,2-3H3,(H,28,30);6-8,10,14-15H,5,9,11-13H2,1-4H3,(H,25,26,29);4-8,10,12-13,23H,1,9,11H2,2-3H3,(H,24,26);5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,26);3-8,10-11,13H,9,12H2,1-2H3,(H,22,23,25);3-7,9,11-13H,8,10H2,1-2H3,(H,22,23,25)
InChIKeyAQKZRKBLNJAQAC-UHFFFAOYSA-N
MW2356.70 g/mol
LogP24.29
Rot. Bonds50

About 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide

4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide (PubChem CID 157197682) has the molecular formula C137H142N12O25 and a molecular weight of 2356.70 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide
PubChem CID157197682
Molecular FormulaC137H142N12O25
Molecular Weight2356.70 g/mol
Exact Mass2355.02
IUPAC Name4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide
SMILESC=C(c1ccccc1)c1cccc(CNC(=O)CCC(=O)c2ccc(OC)c(OC)c2)c1.C=C1NC(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)=Cc2ccccc21.CCOc1ccc(C(=O)CCC(=O)Nc2cc3ccccc3n2C)cc1OC.CCOc1ccc(C(=O)CCC(=O)Nc2nc3cc(C)ccc3n2CCOC)cc1OC.COc1ccc(C(=O)CCC(=O)Nc2ccc3ccccc3n2)cc1OC.COc1ccc(C(=O)CCC(=O)Nc2nccc3ccccc23)cc1OC
InChIInChI=1S/C27H27NO4.C24H29N3O5.C22H22N2O4.C22H24N2O4.2C21H20N2O4/c1-19(21-9-5-4-6-10-21)22-11-7-8-20(16-22)18-28-27(30)15-13-24(29)23-12-14-25(31-2)26(17-23)32-3;1-5-32-21-10-7-17(15-22(21)31-4)20(28)9-11-23(29)26-24-25-18-14-16(2)6-8-19(18)27(24)12-13-30-3;1-14-17-7-5-4-6-15(17)13-21(23-14)24-22(26)11-9-18(25)16-8-10-19(27-2)20(12-16)28-3;1-4-28-19-11-9-16(13-20(19)27-3)18(25)10-12-22(26)23-21-14-15-7-5-6-8-17(15)24(21)2;1-26-18-10-7-15(13-19(18)27-2)17(24)9-12-21(25)23-20-11-8-14-5-3-4-6-16(14)22-20;1-26-18-9-7-15(13-19(18)27-2)17(24)8-10-20(25)23-21-16-6-4-3-5-14(16)11-12-22-21/h4-12,14,16-17H,1,13,15,18H2,2-3H3,(H,28,30);6-8,10,14-15H,5,9,11-13H2,1-4H3,(H,25,26,29);4-8,10,12-13,23H,1,9,11H2,2-3H3,(H,24,26);5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,26);3-8,10-11,13H,9,12H2,1-2H3,(H,22,23,25);3-7,9,11-13H,8,10H2,1-2H3,(H,22,23,25)
InChIKeyAQKZRKBLNJAQAC-UHFFFAOYSA-N
XLogP24.29
TPSA457.57 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds50
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002356.70
LogP ≤ 524.29
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11065231, Example 7
CID 138620505
N-[2-[bis[3-[2-[2-[2-[(2-isoquinolin-6-yloxyacetyl)amino]ethoxy]ethoxy]ethylamino]-3-oxopropyl]amino]ethyl]-2-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole-4-carboxamide
CID 137133249
2,3-dihydro-1,4-benzodioxin-6-yl-[2-(1H-indol-4-yl)-7,7-dimethyl-4-[(3R)-3-methylmorpholin-4-yl]-5H-pyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 170343311
US11065231, Example 53
CID 138620579
N-[5-[[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
CID 157187180
N-[5-[[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]piperazin-1-yl]methyl]-1-(4-methylcyclohexyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane
CID 158608142
N-[1-(4-methylcyclohexyl)-5-[[4-[2-[2-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]piperazin-1-yl]methyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 175621751
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate;hydrochloride
CID 117595262
4-(3,4-diethoxyphenyl)-N-[4-(1H-indol-5-yl)-6-phenylpyridin-2-yl]-4-oxobutanamide
CID 57581236
1,2-dimethyl-N-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-5-[6-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-1,3-benzodioxol-5-yl]-N-(2-oxo-1H-pyrimidin-5-yl)pyrrole-3-carboxamide
CID 117831202
[3-[6-(1-Cyclohexylbenzimidazol-2-yl)quinolin-2-yl]-4-(3,4-dimethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 141106773
6-[[6-(6-methoxy-3-pyridinyl)-1-[(1S)-1-phenylethyl]benzimidazol-2-yl]methoxy]-2,3-dihydroisoindol-1-one
CID 141632680

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide (CID 157197682) is 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide is C=C(c1ccccc1)c1cccc(CNC(=O)CCC(=O)c2ccc(OC)c(OC)c2)c1.C=C1NC(NC(=O)CCC(=O)c2ccc(OC)c(OC)c2)=Cc2ccccc21.CCOc1ccc(C(=O)CCC(=O)Nc2cc3ccccc3n2C)cc1OC.CCOc1ccc(C(=O)CCC(=O)Nc2nc3cc(C)ccc3n2CCOC)cc1OC.COc1ccc(C(=O)CCC(=O)Nc2ccc3ccccc3n2)cc1OC.COc1ccc(C(=O)CCC(=O)Nc2nccc3ccccc23)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide?
The InChIKey is AQKZRKBLNJAQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO4.C24H29N3O5.C22H22N2O4.C22H24N2O4.2C21H20N2O4/c1-19(21-9-5-4-6-10-21)22-11-7-8-20(16-22)18-28-27(30)15-13-24(29)23-12-14-25(31-2)26(17-23)32-3;1-5-32-21-10-7-17(15-22(21)31-4)20(28)9-11-23(29)26-24-25-18-14-16(2)6-8-19(18)27(24)12-13-30-3;1-14-17-7-5-4-6-15(17)13-21(23-14)24-22(26)11-9-18(25)16-8-10-19(27-2)20(12-16)28-3;1-4-28-19-11-9-16(13-20(19)27-3)18(25)10-12-22(26)23-21-14-15-7-5-6-8-17(15)24(21)2;1-26-18-10-7-15(13-19(18)27-2)17(24)9-12-21(25)23-20-11-8-14-5-3-4-6-16(14)22-20;1-26-18-9-7-15(13-19(18)27-2)17(24)8-10-20(25)23-21-16-6-4-3-5-14(16)11-12-22-21/h4-12,14,16-17H,1,13,15,18H2,2-3H3,(H,28,30);6-8,10,14-15H,5,9,11-13H2,1-4H3,(H,25,26,29);4-8,10,12-13,23H,1,9,11H2,2-3H3,(H,24,26);5-9,11,13-14H,4,10,12H2,1-3H3,(H,23,26);3-8,10-11,13H,9,12H2,1-2H3,(H,22,23,25);3-7,9,11-13H,8,10H2,1-2H3,(H,22,23,25).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide?
4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide has a molecular weight of 2356.70 g/mol, XLogP of 24.29, 50 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-isoquinolin-1-yl-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-N-(1-methylidene-2H-isoquinolin-3-yl)-4-oxobutanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-[[3-(1-phenylethenyl)phenyl]methyl]butanamide;4-(3,4-dimethoxyphenyl)-4-oxo-N-quinolin-2-ylbutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-[1-(2-methoxyethyl)-5-methylbenzimidazol-2-yl]-4-oxobutanamide;4-(4-ethoxy-3-methoxyphenyl)-N-(1-methylindol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 157197682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).