4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate

C187H149N15O16 — CID 158161678

IUPAC4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1
InChIInChI=1S/C32H26N2O3.C32H26N2O2.C31H25N3O3.C31H25N3O2.C31H24N2O3.C30H23N3O3/c1-37-32(36)26-13-14-29-28(21-26)30(15-16-33-29)34-27-12-6-11-25(20-27)31(35)19-24-10-5-9-23(18-24)17-22-7-3-2-4-8-22;1-22(35)26-13-14-30-29(21-26)31(15-16-33-30)34-28-12-6-11-27(20-28)32(36)19-25-10-5-9-24(18-25)17-23-7-3-2-4-8-23;1-37-31(36)24-11-16-28-27(20-24)29(17-18-32-28)33-25-14-9-23(10-15-25)30(35)34-26-12-7-22(8-13-26)19-21-5-3-2-4-6-21;1-21(35)25-11-16-29-28(20-25)30(17-18-32-29)33-26-14-9-24(10-15-26)31(36)34-27-12-7-23(8-13-27)19-22-5-3-2-4-6-22;34-30(18-23-9-4-8-22(17-23)16-21-6-2-1-3-7-21)24-10-5-11-26(19-24)33-29-14-15-32-28-13-12-25(31(35)36)20-27(28)29;34-29(33-25-11-6-21(7-12-25)18-20-4-2-1-3-5-20)22-8-13-24(14-9-22)32-28-16-17-31-27-15-10-23(30(35)36)19-26(27)28/h2-16,18,20-21H,17,19H2,1H3,(H,33,34);2-16,18,20-21H,17,19H2,1H3,(H,33,34);2-18,20H,19H2,1H3,(H,32,33)(H,34,35);2-18,20H,19H2,1H3,(H,32,33)(H,34,36);1-15,17,19-20H,16,18H2,(H,32,33)(H,35,36);1-17,19H,18H2,(H,31,32)(H,33,34)(H,35,36)
InChIKeyFWIQUESZWFQMOI-UHFFFAOYSA-N
MW2862.34 g/mol
LogP40.82
Rot. Bonds45

About 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate

4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate (PubChem CID 158161678) has the molecular formula C187H149N15O16 and a molecular weight of 2862.34 g/mol. Its IUPAC name is 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate.

Molecular Properties

Compound Name4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate
PubChem CID158161678
Molecular FormulaC187H149N15O16
Molecular Weight2862.34 g/mol
Exact Mass2860.13
IUPAC Name4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1
InChIInChI=1S/C32H26N2O3.C32H26N2O2.C31H25N3O3.C31H25N3O2.C31H24N2O3.C30H23N3O3/c1-37-32(36)26-13-14-29-28(21-26)30(15-16-33-29)34-27-12-6-11-25(20-27)31(35)19-24-10-5-9-23(18-24)17-22-7-3-2-4-8-22;1-22(35)26-13-14-30-29(21-26)31(15-16-33-30)34-28-12-6-11-27(20-28)32(36)19-25-10-5-9-24(18-25)17-23-7-3-2-4-8-23;1-37-31(36)24-11-16-28-27(20-24)29(17-18-32-28)33-25-14-9-23(10-15-25)30(35)34-26-12-7-22(8-13-26)19-21-5-3-2-4-6-21;1-21(35)25-11-16-29-28(20-25)30(17-18-32-29)33-26-14-9-24(10-15-26)31(36)34-27-12-7-23(8-13-27)19-22-5-3-2-4-6-22;34-30(18-23-9-4-8-22(17-23)16-21-6-2-1-3-7-21)24-10-5-11-26(19-24)33-29-14-15-32-28-13-12-25(31(35)36)20-27(28)29;34-29(33-25-11-6-21(7-12-25)18-20-4-2-1-3-5-20)22-8-13-24(14-9-22)32-28-16-17-31-27-15-10-23(30(35)36)19-26(27)28/h2-16,18,20-21H,17,19H2,1H3,(H,33,34);2-16,18,20-21H,17,19H2,1H3,(H,33,34);2-18,20H,19H2,1H3,(H,32,33)(H,34,35);2-18,20H,19H2,1H3,(H,32,33)(H,34,36);1-15,17,19-20H,16,18H2,(H,32,33)(H,35,36);1-17,19H,18H2,(H,31,32)(H,33,34)(H,35,36)
InChIKeyFWIQUESZWFQMOI-UHFFFAOYSA-N
XLogP40.82
TPSA449.37 Ų
H-Bond Donors11
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002862.34
LogP ≤ 540.82
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1026

Analyze 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate 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

3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
CID 1078352
Methyl 4-({[2-(pyridin-4-yl)quinolin-4-yl]carbonyl}amino)benzoate
CID 2327757
Ethyl 5-pyridin-3-yl-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine-9-carboxylate
CID 76336226
Methyl 9-[3-[2-[3-[(2-methoxycarbonyl-7-methylacridin-9-yl)amino]propylamino]ethylamino]propylamino]-7-methylacridine-2-carboxylate
CID 162666910
Ethyl 1-benzyl-2-oxo-5-pyridin-3-yl-3,4-dihydrobenzo[h][1,6]naphthyridine-9-carboxylate
CID 76310867
Ethyl 4'-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenylamino)-3,6'-biquinoline-3'-carboxylate
CID 49782829
4'-(4-(4-Propionylpiperazin-1-yl)-3(trifluoromethyl)phenylamino)-3,6'-biquinoline-3'-carboxylic acid
CID 49783031
2-[2-amino-5-(diethylamino)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;tert-butyl 3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoate;3-[[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
CID 159059622
1-[4-fluoro-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-4H-pyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydropyrimido[5,4-c]quinolin-2-one;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159142495
Sodium;ethyl 7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylate;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid;hydroxide
CID 159325987
Ethyl 7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylate;methanol;7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxylic acid
CID 159398460
6-acetyl-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;ethyl 6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylate;ethyl 4-methyl-6-prop-1-en-2-yl-8-(trifluoromethyl)quinoline-2-carboxylate
CID 159603872

Frequently Asked Questions

What is the IUPAC name of 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate?
The IUPAC name of 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate (CID 158161678) is 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate.
What is the SMILES notation for 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate?
The canonical SMILES for 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate is CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cc3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccccc5)c4)c3)c2c1.
What is the InChIKey of 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate?
The InChIKey is FWIQUESZWFQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3.C32H26N2O2.C31H25N3O3.C31H25N3O2.C31H24N2O3.C30H23N3O3/c1-37-32(36)26-13-14-29-28(21-26)30(15-16-33-29)34-27-12-6-11-25(20-27)31(35)19-24-10-5-9-23(18-24)17-22-7-3-2-4-8-22;1-22(35)26-13-14-30-29(21-26)31(15-16-33-30)34-28-12-6-11-27(20-28)32(36)19-25-10-5-9-24(18-25)17-23-7-3-2-4-8-23;1-37-31(36)24-11-16-28-27(20-24)29(17-18-32-28)33-25-14-9-23(10-15-25)30(35)34-26-12-7-22(8-13-26)19-21-5-3-2-4-6-21;1-21(35)25-11-16-29-28(20-25)30(17-18-32-29)33-26-14-9-24(10-15-26)31(36)34-27-12-7-23(8-13-27)19-22-5-3-2-4-6-22;34-30(18-23-9-4-8-22(17-23)16-21-6-2-1-3-7-21)24-10-5-11-26(19-24)33-29-14-15-32-28-13-12-25(31(35)36)20-27(28)29;34-29(33-25-11-6-21(7-12-25)18-20-4-2-1-3-5-20)22-8-13-24(14-9-22)32-28-16-17-31-27-15-10-23(30(35)36)19-26(27)28/h2-16,18,20-21H,17,19H2,1H3,(H,33,34);2-16,18,20-21H,17,19H2,1H3,(H,33,34);2-18,20H,19H2,1H3,(H,32,33)(H,34,35);2-18,20H,19H2,1H3,(H,32,33)(H,34,36);1-15,17,19-20H,16,18H2,(H,32,33)(H,35,36);1-17,19H,18H2,(H,31,32)(H,33,34)(H,35,36).
What are the key properties of 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate?
4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate has a molecular weight of 2862.34 g/mol, XLogP of 40.82, 45 rotatable bonds, 11 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate is sourced from PubChem (CID 158161678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).