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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid

C178H140N24O17 — CID 158747635

IUPAC4-[(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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1
InChIInChI=1S/C31H25N3O3.C30H24N4O3.C30H24N4O2.C30H23N3O3.C29H23N5O3.C28H21N5O3/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;1-37-30(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;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)34-27-9-5-22(18-32-27)28(35)33-23-6-2-19(3-7-23)16-20-10-13-30-14-11-20;34-27(32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19)21-4-8-26(31-17-21)33-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25/h2-15,17,19-20H,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);2-15,17-18H,16H2,1H3,(H,33,35)(H,31,32,34);1-14,16-17H,15H2,(H,32,34)(H,35,36)(H,30,31,33)
InChIKeyINBOVWSWFULLQH-UHFFFAOYSA-N
MW2887.23 g/mol
LogP35.39
Rot. Bonds44

About 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid

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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (PubChem CID 158747635) has the molecular formula C178H140N24O17 and a molecular weight of 2887.23 g/mol. Its IUPAC name is 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-[(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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
PubChem CID158747635
Molecular FormulaC178H140N24O17
Molecular Weight2887.23 g/mol
Exact Mass2885.08
IUPAC Name4-[(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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
SMILESCC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1
InChIInChI=1S/C31H25N3O3.C30H24N4O3.C30H24N4O2.C30H23N3O3.C29H23N5O3.C28H21N5O3/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;1-37-30(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;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)34-27-9-5-22(18-32-27)28(35)33-23-6-2-19(3-7-23)16-20-10-13-30-14-11-20;34-27(32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19)21-4-8-26(31-17-21)33-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25/h2-15,17,19-20H,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);2-15,17-18H,16H2,1H3,(H,33,35)(H,31,32,34);1-14,16-17H,15H2,(H,32,34)(H,35,36)(H,30,31,33)
InChIKeyINBOVWSWFULLQH-UHFFFAOYSA-N
XLogP35.39
TPSA573.75 Ų
H-Bond Donors12
H-Bond Acceptors35
Rotatable Bonds44
Heavy Atoms219
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002887.23
LogP ≤ 535.39
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid with MolForge

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Related Compounds

3-[4-[6-[3-[6-Methoxycarbonyl-3-[4-[3-(trifluoromethyl)pyridin-2-yl]piperidin-1-yl]quinoxalin-2-yl]phenyl]-3-(trifluoromethyl)pyridin-2-yl]piperidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid
CID 134171311
3-[[6-Fluoro-1-[3-[4-[(6-fluoroquinolin-4-yl)amino]-2-[[6-(pyridin-4-ylamino)-2-pyridinyl]carbamoyl]phenyl]-2-methylpropyl]quinolin-1-ium-4-yl]amino]benzoic acid
CID 157042756
1-[6-[Difluoro(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-[methoxy(pyrimidin-5-yl)methyl]quinolin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone;bis(2-(5-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);bis(2-(6-methyl-2-pyridinyl)-1-[6-(pyrimidine-5-carbonyl)quinolin-8-yl]ethanone);2-(5-methyl-2-pyridinyl)-1-[6-(1-pyrimidin-5-ylethyl)quinolin-8-yl]ethanone
CID 157796623
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
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid;1-[2,6-bis(trifluoromethyl)-3-pyridinyl]ethanone;N-tert-butyl-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;ethyl 2-amino-6-(trifluoromethyl)pyridine-3-carboxylate;2-methyl-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide;2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide;1-[2-phenyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;2-pyridin-2-yl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 159561965
Ethyl 4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylate;4-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxylic acid;1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-[1,3]oxazino[5,4-c]quinoline-2,4-dione
CID 159770956
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;methane;methyl 3-iodoquinoline-6-carboxylate;methyl 3-methylquinoline-6-carboxylate;methyl 2,2,2-trifluoroacetate;sulfur dioxide
CID 160414202
1-(4-fluoro-3-methylphenyl)-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 161406696
acetylene;benzyl 4-aminobutanoate;benzyl 4-[[4-(4-aminobutylamino)quinoline-3-carbonyl]amino]butanoate;benzyl 4-[[4-[4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]butylamino]quinoline-3-carbonyl]amino]butanoate;benzyl 4-[[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carbonyl]amino]butanoate;tert-butyl N-[N-[(2-methylpropan-2-yl)oxycarbonyl]-N'-(trifluoromethylsulfonyl)carbamimidoyl]carbamate;but-2-yne;4-[[4-[4-(diaminomethylideneamino)butylamino]quinoline-3-carbonyl]amino]butanoic acid;hexa-1,3,5-triyne;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]quinoline-3-carboxylic acid;penta-1,3-diyne;prop-1-yne
CID 161481886
2-amino-3-(trifluoromethyl)benzoic acid;3-cyclohexyl-2-methylpropanoic acid;methyl 6-aminopyridine-3-carboxylate;methyl 6-[3-[[2-amino-3-(trifluoromethyl)benzoyl]amino]-4-cyclohexyl-2-oxobutyl]pyridine-3-carboxylate;methyl 6-(4-cyclohexyl-3-methyl-2-oxobutyl)pyridine-3-carboxylate;methyl 6-[(3R)-4-cyclohexyl-2-oxo-3-[4-oxo-8-(trifluoromethyl)quinazolin-3-yl]butyl]pyridine-3-carboxylate
CID 161659333
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(3-methylquinolin-6-yl)methyl]pyridine-4-carboxamide;methyl 3-iodoquinoline-6-carboxylate;methyl 3-methylquinoline-6-carboxylate;methyl 2,2,2-trifluoroacetate;sulfur dioxide
CID 161767742
3-[[3-Carbamoyl-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl]amino]-5-pyridin-4-ylbenzoic acid
CID 57335251

Frequently Asked Questions

What is the IUPAC name of 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The IUPAC name of 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (CID 158747635) is 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid.
What is the SMILES notation for 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The canonical SMILES for 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid is CC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cc3)c2c1.COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.COC(=O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.O=C(O)c1ccc2nccc(Nc3cccc(C(=O)Cc4cccc(Cc5ccncc5)c4)c3)c2c1.
What is the InChIKey of 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The InChIKey is INBOVWSWFULLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3.C30H24N4O3.C30H24N4O2.C30H23N3O3.C29H23N5O3.C28H21N5O3/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;1-37-30(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;1-37-29(36)21-4-8-25-24(17-21)26(12-15-31-25)34-27-9-5-22(18-32-27)28(35)33-23-6-2-19(3-7-23)16-20-10-13-30-14-11-20;34-27(32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19)21-4-8-26(31-17-21)33-25-11-14-30-24-7-3-20(28(35)36)16-23(24)25/h2-15,17,19-20H,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);2-15,17-18H,16H2,1H3,(H,33,35)(H,31,32,34);1-14,16-17H,15H2,(H,32,34)(H,35,36)(H,30,31,33).
What are the key properties of 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid has a molecular weight of 2887.23 g/mol, XLogP of 35.39, 44 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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;methyl 4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 158747635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).