4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate

C87H67FN12O7 — CID 157266394

IUPAC4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1
InChIInChI=1S/C30H24N4O3.C29H22N4O3.C28H21FN4O/c1-37-30(36)22-9-13-26-25(18-22)27(15-16-31-26)34-28-14-10-23(19-32-28)29(35)33-24-11-7-21(8-12-24)17-20-5-3-2-4-6-20;34-28(32-23-10-6-20(7-11-23)16-19-4-2-1-3-5-19)22-9-13-27(31-18-22)33-26-14-15-30-25-12-8-21(29(35)36)17-24(25)26;29-22-9-12-25-24(17-22)26(14-15-30-25)33-27-13-8-21(18-31-27)28(34)32-23-10-6-20(7-11-23)16-19-4-2-1-3-5-19/h2-16,18-19H,17H2,1H3,(H,33,35)(H,31,32,34);1-15,17-18H,16H2,(H,32,34)(H,35,36)(H,30,31,33);1-15,17-18H,16H2,(H,32,34)(H,30,31,33)
InChIKeyAYAUXZIEPBUXCB-UHFFFAOYSA-N
MW1411.57 g/mol
LogP18.27
Rot. Bonds20

About 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate

4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate (PubChem CID 157266394) has the molecular formula C87H67FN12O7 and a molecular weight of 1411.57 g/mol. Its IUPAC name is 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate.

Molecular Properties

Compound Name4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
PubChem CID157266394
Molecular FormulaC87H67FN12O7
Molecular Weight1411.57 g/mol
Exact Mass1410.52
IUPAC Name4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1
InChIInChI=1S/C30H24N4O3.C29H22N4O3.C28H21FN4O/c1-37-30(36)22-9-13-26-25(18-22)27(15-16-31-26)34-28-14-10-23(19-32-28)29(35)33-24-11-7-21(8-12-24)17-20-5-3-2-4-6-20;34-28(32-23-10-6-20(7-11-23)16-19-4-2-1-3-5-19)22-9-13-27(31-18-22)33-26-14-15-30-25-12-8-21(29(35)36)17-24(25)26;29-22-9-12-25-24(17-22)26(14-15-30-25)33-27-13-8-21(18-31-27)28(34)32-23-10-6-20(7-11-23)16-19-4-2-1-3-5-19/h2-16,18-19H,17H2,1H3,(H,33,35)(H,31,32,34);1-15,17-18H,16H2,(H,32,34)(H,35,36)(H,30,31,33);1-15,17-18H,16H2,(H,32,34)(H,30,31,33)
InChIKeyAYAUXZIEPBUXCB-UHFFFAOYSA-N
XLogP18.27
TPSA264.33 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms107
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.57
LogP ≤ 518.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate 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)-[2,2'-bipyrimidin]-4-yl)benzoate
CID 137333643
Methyl 2-acetylamino-5-(6-(4-fluorophenyl)-2-(pyridin-3-yl)pyrimidin-4-yl)benzoate
CID 137333644
methyl 4-[[6-[(E)-3-[[1-[(3,4-difluorophenyl)methyl]-2,3-dimethyl-5-oxopyrazole-4-carbonyl]amino]prop-1-enyl]quinazolin-2-yl]amino]benzoate
CID 44622685
(8aS)-2-methyl-1-[2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]ethyl]-8aH-1,8-naphthyridine-3-carboxylic acid;(6-cyclohexyl-3-pyridinyl)methyl 2-methyl-1,8-naphthyridine-3-carboxylate
CID 66633920
4-[1-[3-[[6-(Trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxylic acid
CID 66763704
4-[4-[4-(4-Methoxycarbonylanilino)-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 66836486
Tert-butyl 4-[4-[4-(4-methoxycarbonylanilino)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-2-yl]pyridin-2-yl]piperazine-1-carboxylate
CID 66836620
2-[[2-[4-(Trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carboxylic acid
CID 69524535
2-[Methyl-[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-6-carboxylic acid
CID 69524727
Ethyl 4-[[6-[3-[[1-[(3,4-difluorophenyl)methyl]-6-oxopyrimidine-5-carbonyl]amino]prop-1-ynyl]quinazolin-2-yl]amino]benzoate
CID 70928910
4-[(5-Fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid
CID 71151373

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
The IUPAC name of 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate (CID 157266394) is 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate.
What is the SMILES notation for 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
The canonical SMILES for 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate is COC(=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.O=C(Nc1ccc(Cc2ccccc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccccc5)cc4)cn3)c2c1.
What is the InChIKey of 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
The InChIKey is AYAUXZIEPBUXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3.C29H22N4O3.C28H21FN4O/c1-37-30(36)22-9-13-26-25(18-22)27(15-16-31-26)34-28-14-10-23(19-32-28)29(35)33-24-11-7-21(8-12-24)17-20-5-3-2-4-6-20;34-28(32-23-10-6-20(7-11-23)16-19-4-2-1-3-5-19)22-9-13-27(31-18-22)33-26-14-15-30-25-12-8-21(29(35)36)17-24(25)26;29-22-9-12-25-24(17-22)26(14-15-30-25)33-27-13-8-21(18-31-27)28(34)32-23-10-6-20(7-11-23)16-19-4-2-1-3-5-19/h2-16,18-19H,17H2,1H3,(H,33,35)(H,31,32,34);1-15,17-18H,16H2,(H,32,34)(H,35,36)(H,30,31,33);1-15,17-18H,16H2,(H,32,34)(H,30,31,33).
What are the key properties of 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate?
4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate has a molecular weight of 1411.57 g/mol, XLogP of 18.27, 20 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid;N-(4-benzylphenyl)-6-[(6-fluoroquinolin-4-yl)amino]pyridine-3-carboxamide;methyl 4-[[5-[(4-benzylphenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate is sourced from PubChem (CID 157266394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).