4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide

C141H146F4N8O11 — CID 162057637

IUPAC4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
SMILESCCC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2c1Cc1ccccc1.CCC(=O)c1cnc2cc(F)c(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2c1Cc1ccccc1.COc1cc2ncc(C(=O)CC3CC3)c(CCc3ccc(CO)cc3)c2cc1-c1ccc(C(=O)NC2CCC(C)CC2)cc1.COc1cc2ncc(C(=O)CC3CC3)c(Cc3ccccc3)c2cc1-c1ccc(C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C38H42N2O4.C36H38N2O3.C34H33F3N2O2.C33H33FN2O2/c1-24-3-16-30(17-4-24)40-38(43)29-14-12-28(13-15-29)32-20-33-31(18-11-25-5-9-27(23-41)10-6-25)34(36(42)19-26-7-8-26)22-39-35(33)21-37(32)44-2;1-23-8-16-28(17-9-23)38-36(40)27-14-12-26(13-15-27)29-20-31-30(18-24-6-4-3-5-7-24)32(34(39)19-25-10-11-25)22-37-33(31)21-35(29)41-2;1-3-32(40)29-20-38-31-19-30(34(35,36)37)26(18-28(31)27(29)17-22-7-5-4-6-8-22)23-11-13-24(14-12-23)33(41)39-25-15-9-21(2)10-16-25;1-3-32(37)29-20-35-31-19-30(34)26(18-28(31)27(29)17-22-7-5-4-6-8-22)23-11-13-24(14-12-23)33(38)36-25-15-9-21(2)10-16-25/h5-6,9-10,12-15,20-22,24,26,30,41H,3-4,7-8,11,16-19,23H2,1-2H3,(H,40,43);3-7,12-15,20-23,25,28H,8-11,16-19H2,1-2H3,(H,38,40);4-8,11-14,18-21,25H,3,9-10,15-17H2,1-2H3,(H,39,41);4-8,11-14,18-21,25H,3,9-10,15-17H2,1-2H3,(H,36,38)
InChIKeyYZKAMHWZNKVCQF-UHFFFAOYSA-N
MW2204.76 g/mol
LogP31.22
Rot. Bonds34

About 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide

4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide (PubChem CID 162057637) has the molecular formula C141H146F4N8O11 and a molecular weight of 2204.76 g/mol. Its IUPAC name is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
PubChem CID162057637
Molecular FormulaC141H146F4N8O11
Molecular Weight2204.76 g/mol
Exact Mass2203.10
IUPAC Name4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
SMILESCCC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2c1Cc1ccccc1.CCC(=O)c1cnc2cc(F)c(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2c1Cc1ccccc1.COc1cc2ncc(C(=O)CC3CC3)c(CCc3ccc(CO)cc3)c2cc1-c1ccc(C(=O)NC2CCC(C)CC2)cc1.COc1cc2ncc(C(=O)CC3CC3)c(Cc3ccccc3)c2cc1-c1ccc(C(=O)NC2CCC(C)CC2)cc1
InChIInChI=1S/C38H42N2O4.C36H38N2O3.C34H33F3N2O2.C33H33FN2O2/c1-24-3-16-30(17-4-24)40-38(43)29-14-12-28(13-15-29)32-20-33-31(18-11-25-5-9-27(23-41)10-6-25)34(36(42)19-26-7-8-26)22-39-35(33)21-37(32)44-2;1-23-8-16-28(17-9-23)38-36(40)27-14-12-26(13-15-27)29-20-31-30(18-24-6-4-3-5-7-24)32(34(39)19-25-10-11-25)22-37-33(31)21-35(29)41-2;1-3-32(40)29-20-38-31-19-30(34(35,36)37)26(18-28(31)27(29)17-22-7-5-4-6-8-22)23-11-13-24(14-12-23)33(41)39-25-15-9-21(2)10-16-25;1-3-32(37)29-20-35-31-19-30(34)26(18-28(31)27(29)17-22-7-5-4-6-8-22)23-11-13-24(14-12-23)33(38)36-25-15-9-21(2)10-16-25/h5-6,9-10,12-15,20-22,24,26,30,41H,3-4,7-8,11,16-19,23H2,1-2H3,(H,40,43);3-7,12-15,20-23,25,28H,8-11,16-19H2,1-2H3,(H,38,40);4-8,11-14,18-21,25H,3,9-10,15-17H2,1-2H3,(H,39,41);4-8,11-14,18-21,25H,3,9-10,15-17H2,1-2H3,(H,36,38)
InChIKeyYZKAMHWZNKVCQF-UHFFFAOYSA-N
XLogP31.22
TPSA274.93 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds34
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.76
LogP ≤ 531.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide 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

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[1-(quinoline-3-carbonyl)piperidin-4-yl]oxyphenyl]-3-(trifluoromethyl)benzamide
CID 134138260
(2S)-2-[9-[4-[8-[(S)-carboxy-[(2-methylpropan-2-yl)oxy]methyl]-7,10-dimethyl-9-(4-methylphenyl)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-5-yl]-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl]-3-fluoro-7,10-dimethyl-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 144676852
2-[3-fluoro-7,10-dimethyl-9-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]acetic acid
CID 146207753
(2S)-2-[[4-[5-[(2S)-2-carboxy-2-[(2,6-difluorobenzoyl)amino]ethyl]-8-[2-(cyclopropylmethoxy)-4,5-difluorophenyl]quinolin-3-yl]-2,6-difluorobenzoyl]amino]-3-[8-(3,5,6-trimethyl-2-pyridinyl)quinolin-5-yl]propanoic acid
CID 146614772
4-[4-Anilino-3-(cyclopropylcarbamoyl)-7-methoxyquinolin-6-yl]-2-fluorobenzoic acid
CID 149244564
4-anilino-6-[4-[[4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoylamino]butylamino]-hydroxymethyl]-3-fluorophenyl]-7-methoxy-N-methylquinoline-3-carboxamide
CID 153542727
6-[4-(4-aminobutylcarbamoyl)-3-fluorophenyl]-4-anilino-N-cyclopropyl-7-methoxyquinoline-3-carboxamide
CID 153543167
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-butyl-2-fluorobenzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-butyl-2-fluorobenzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-butyl-2-fluorobenzamide;N-butyl-4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-2-fluorobenzamide
CID 157164002
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-(2-phenylethyl)-7-(trifluoromethoxy)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 157213673
5-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]-N-butylpyrazine-2-carboxamide;5-[4-(2-bicyclo[1.1.1]pentanylmethyl)-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]-N-butylpyrazine-2-carboxamide;N-butyl-5-[3-(2-cyclopropylacetyl)-7-methoxy-4-(2-phenylethyl)quinolin-6-yl]pyrazine-2-carboxamide
CID 157418246
4-[4-amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide
CID 157623718
1-[4-[4-Amino-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[4-benzyl-3-(2-cyclopropylacetyl)-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[4-benzyl-3-(2-cyclopropylacetyl)-7-(trifluoromethyl)quinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-ethyl-7-fluoroquinolin-6-yl]piperazin-1-yl]butan-1-one;1-[4-[3-(2-cyclopropylacetyl)-4-ethyl-7-(trifluoromethyl)quinolin-6-yl]piperazin-1-yl]butan-1-one
CID 157854536

Frequently Asked Questions

What is the IUPAC name of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide (CID 162057637) is 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide is CCC(=O)c1cnc2cc(C(F)(F)F)c(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2c1Cc1ccccc1.CCC(=O)c1cnc2cc(F)c(-c3ccc(C(=O)NC4CCC(C)CC4)cc3)cc2c1Cc1ccccc1.COc1cc2ncc(C(=O)CC3CC3)c(CCc3ccc(CO)cc3)c2cc1-c1ccc(C(=O)NC2CCC(C)CC2)cc1.COc1cc2ncc(C(=O)CC3CC3)c(Cc3ccccc3)c2cc1-c1ccc(C(=O)NC2CCC(C)CC2)cc1.
What is the InChIKey of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide?
The InChIKey is YZKAMHWZNKVCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N2O4.C36H38N2O3.C34H33F3N2O2.C33H33FN2O2/c1-24-3-16-30(17-4-24)40-38(43)29-14-12-28(13-15-29)32-20-33-31(18-11-25-5-9-27(23-41)10-6-25)34(36(42)19-26-7-8-26)22-39-35(33)21-37(32)44-2;1-23-8-16-28(17-9-23)38-36(40)27-14-12-26(13-15-27)29-20-31-30(18-24-6-4-3-5-7-24)32(34(39)19-25-10-11-25)22-37-33(31)21-35(29)41-2;1-3-32(40)29-20-38-31-19-30(34(35,36)37)26(18-28(31)27(29)17-22-7-5-4-6-8-22)23-11-13-24(14-12-23)33(41)39-25-15-9-21(2)10-16-25;1-3-32(37)29-20-35-31-19-30(34)26(18-28(31)27(29)17-22-7-5-4-6-8-22)23-11-13-24(14-12-23)33(38)36-25-15-9-21(2)10-16-25/h5-6,9-10,12-15,20-22,24,26,30,41H,3-4,7-8,11,16-19,23H2,1-2H3,(H,40,43);3-7,12-15,20-23,25,28H,8-11,16-19H2,1-2H3,(H,38,40);4-8,11-14,18-21,25H,3,9-10,15-17H2,1-2H3,(H,39,41);4-8,11-14,18-21,25H,3,9-10,15-17H2,1-2H3,(H,36,38).
What are the key properties of 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide?
4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide has a molecular weight of 2204.76 g/mol, XLogP of 31.22, 34 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-benzyl-3-(2-cyclopropylacetyl)-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-(4-benzyl-7-fluoro-3-propanoylquinolin-6-yl)-N-(4-methylcyclohexyl)benzamide;4-[4-benzyl-3-propanoyl-7-(trifluoromethyl)quinolin-6-yl]-N-(4-methylcyclohexyl)benzamide;4-[3-(2-cyclopropylacetyl)-4-[2-[4-(hydroxymethyl)phenyl]ethyl]-7-methoxyquinolin-6-yl]-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 162057637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).