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

C152H121N17O13 — CID 159234554

IUPAC1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1
InChIInChI=1S/C31H25N3O3.C31H25N3O2.C30H24N4O3.C30H24N4O2.C30H23N3O3/c1-37-31(36)25-8-9-28-27(20-25)29(12-15-33-28)34-26-7-3-6-24(19-26)30(35)18-23-5-2-4-22(17-23)16-21-10-13-32-14-11-21;1-21(35)25-8-9-29-28(20-25)30(12-15-33-29)34-27-7-3-6-26(19-27)31(36)18-24-5-2-4-23(17-24)16-22-10-13-32-14-11-22;1-37-30(36)23-6-11-27-26(19-23)28(14-17-32-27)33-24-9-4-22(5-10-24)29(35)34-25-7-2-20(3-8-25)18-21-12-15-31-16-13-21;1-20(35)24-6-11-28-27(19-24)29(14-17-32-28)33-25-9-4-23(5-10-25)30(36)34-26-7-2-21(3-8-26)18-22-12-15-31-16-13-22;34-29(17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20)23-5-2-6-25(18-23)33-28-11-14-32-27-8-7-24(30(35)36)19-26(27)28/h2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);1-14,16,18-19H,15,17H2,(H,32,33)(H,35,36)
InChIKeyKTHSKRXSUUAAAK-UHFFFAOYSA-N
MW2393.75 g/mol
LogP31.28
Rot. Bonds38

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

1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid (PubChem CID 159234554) has the molecular formula C152H121N17O13 and a molecular weight of 2393.75 g/mol. Its IUPAC name is 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid
PubChem CID159234554
Molecular FormulaC152H121N17O13
Molecular Weight2393.75 g/mol
Exact Mass2391.93
IUPAC Name1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1
InChIInChI=1S/C31H25N3O3.C31H25N3O2.C30H24N4O3.C30H24N4O2.C30H23N3O3/c1-37-31(36)25-8-9-28-27(20-25)29(12-15-33-28)34-26-7-3-6-24(19-26)30(35)18-23-5-2-4-22(17-23)16-21-10-13-32-14-11-21;1-21(35)25-8-9-29-28(20-25)30(12-15-33-29)34-27-7-3-6-26(19-27)31(36)18-24-5-2-4-23(17-24)16-22-10-13-32-14-11-22;1-37-30(36)23-6-11-27-26(19-23)28(14-17-32-27)33-24-9-4-22(5-10-24)29(35)34-25-7-2-20(3-8-25)18-21-12-15-31-16-13-21;1-20(35)24-6-11-28-27(19-24)29(14-17-32-28)33-25-9-4-23(5-10-25)30(36)34-26-7-2-21(3-8-26)18-22-12-15-31-16-13-22;34-29(17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20)23-5-2-6-25(18-23)33-28-11-14-32-27-8-7-24(30(35)36)19-26(27)28/h2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);1-14,16,18-19H,15,17H2,(H,32,33)(H,35,36)
InChIKeyKTHSKRXSUUAAAK-UHFFFAOYSA-N
XLogP31.28
TPSA422.50 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds38
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002393.75
LogP ≤ 531.28
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

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

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Related Compounds

3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
CID 1078352
3-[(3-Ethoxycarbonyl-6,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 1187222
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
CID 2790990
CID 2790990
Methyl 9-[3-[2-[3-[(2-methoxycarbonyl-7-methylacridin-9-yl)amino]propylamino]ethylamino]propylamino]-7-methylacridine-2-carboxylate
CID 162666910
3-Ethyl 6-methyl 4-[(3-acetylphenyl)amino]quinoline-3,6-dicarboxylate
CID 1187597
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
5-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-1H-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 87369118
3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[5-(pyridin-4-ylamino)-3-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042791

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid?
The IUPAC name of 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid (CID 159234554) is 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid.
What is the SMILES notation for 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid?
The canonical SMILES for 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid is CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.CC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.
What is the InChIKey of 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid?
The InChIKey is KTHSKRXSUUAAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3.C31H25N3O2.C30H24N4O3.C30H24N4O2.C30H23N3O3/c1-37-31(36)25-8-9-28-27(20-25)29(12-15-33-28)34-26-7-3-6-24(19-26)30(35)18-23-5-2-4-22(17-23)16-21-10-13-32-14-11-21;1-21(35)25-8-9-29-28(20-25)30(12-15-33-29)34-27-7-3-6-26(19-27)31(36)18-24-5-2-4-23(17-24)16-22-10-13-32-14-11-22;1-37-30(36)23-6-11-27-26(19-23)28(14-17-32-27)33-24-9-4-22(5-10-24)29(35)34-25-7-2-20(3-8-25)18-21-12-15-31-16-13-21;1-20(35)24-6-11-28-27(19-24)29(14-17-32-28)33-25-9-4-23(5-10-25)30(36)34-26-7-2-21(3-8-26)18-22-12-15-31-16-13-22;34-29(17-22-4-1-3-21(16-22)15-20-9-12-31-13-10-20)23-5-2-6-25(18-23)33-28-11-14-32-27-8-7-24(30(35)36)19-26(27)28/h2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-15,17,19-20H,16,18H2,1H3,(H,33,34);2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);1-14,16,18-19H,15,17H2,(H,32,33)(H,35,36).
What are the key properties of 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid?
1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid has a molecular weight of 2393.75 g/mol, XLogP of 31.28, 38 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid is sourced from PubChem (CID 159234554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).