4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid

C144H112FN23O12 — CID 157189949

IUPAC4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C30H24N4O3.C30H24N4O2.C29H23N5O3.C28H21N5O3.C27H20FN5O/c1-37-30(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;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;28-21-4-7-24-23(16-21)25(11-14-30-24)33-26-8-3-20(17-31-26)27(34)32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19/h2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);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);1-14,16-17H,15H2,(H,32,34)(H,30,31,33)
InChIKeyAPOUOHHQWBUIKY-UHFFFAOYSA-N
MW2375.63 g/mol
LogP28.88
Rot. Bonds34

About 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (PubChem CID 157189949) has the molecular formula C144H112FN23O12 and a molecular weight of 2375.63 g/mol. Its IUPAC name is 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
PubChem CID157189949
Molecular FormulaC144H112FN23O12
Molecular Weight2375.63 g/mol
Exact Mass2373.88
IUPAC Name4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C30H24N4O3.C30H24N4O2.C29H23N5O3.C28H21N5O3.C27H20FN5O/c1-37-30(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;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;28-21-4-7-24-23(16-21)25(11-14-30-24)33-26-8-3-20(17-31-26)27(34)32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19/h2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);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);1-14,16-17H,15H2,(H,32,34)(H,30,31,33)
InChIKeyAPOUOHHQWBUIKY-UHFFFAOYSA-N
XLogP28.88
TPSA480.19 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002375.63
LogP ≤ 528.88
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid with MolForge

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Related Compounds

N-(5-fluoro-2-pyridinyl)-6-[methoxy(pyrimidin-5-yl)methyl]quinoline-8-carboxamide
CID 118400863
Methyl 2-acetylamino-5-(6-(4-fluorophenyl)-2-(pyridin-3-yl)pyrimidin-4-yl)benzoate
CID 137333644
4-[4-[4-(4-Methoxycarbonylanilino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836486
2-[[2-[4-(Trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carboxylic acid
CID 69524535
Methyl 4-(5-fluoropyridin-2-ylamino)-2-(pyridin-3-yl)quinazoline-8-carboxylate
CID 71151496
ethyl 4-[[6-[(E)-3-[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]prop-1-enyl]quinazolin-2-yl]amino]benzoate
CID 89109308
[(S)-phenyl-[[2-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carbonyl]amino]methyl] acetate
CID 152534888
methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(1R)-1-(3-fluoro-2-pyridinyl)ethyl]amino]methyl]pyridine-3-carboxylate
CID 156830044
6-[[(2-Amino-3-methylquinoline-6-carbonyl)-[(3-fluoro-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylic acid
CID 156830092
Methyl 6-[[(2-amino-3-methylquinoline-6-carbonyl)-[(3-fluoro-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylate
CID 156830293
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
N-(2-aminophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzamide;tert-butyl 4-fluorobenzoate;tert-butyl 4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzoate;1-[5-(trifluoromethyl)-2-pyridinyl]piperazine;4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]benzoic acid
CID 157698166

Frequently Asked Questions

What is the IUPAC name of 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (CID 157189949) is 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1.
What is the InChIKey of 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The InChIKey is APOUOHHQWBUIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3.C30H24N4O2.C29H23N5O3.C28H21N5O3.C27H20FN5O/c1-37-30(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;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;28-21-4-7-24-23(16-21)25(11-14-30-24)33-26-8-3-20(17-31-26)27(34)32-22-5-1-18(2-6-22)15-19-9-12-29-13-10-19/h2-17,19H,18H2,1H3,(H,32,33)(H,34,35);2-17,19H,18H2,1H3,(H,32,33)(H,34,36);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);1-14,16-17H,15H2,(H,32,34)(H,30,31,33).
What are the key properties of 4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid has a molecular weight of 2375.63 g/mol, XLogP of 28.88, 34 rotatable bonds, 11 hydrogen bond donors, and 29 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;6-[(6-fluoroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-3-carboxamide;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-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 157189949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).