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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid

C85H65FN14O6 — CID 157185314

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;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.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C30H24N4O2.C28H21N5O3.C27H20FN5O/c1-20(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;34-27(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,34,36);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)
InChIKeyAPAYCBJRTQKTKI-UHFFFAOYSA-N
MW1397.54 g/mol
LogP17.48
Rot. Bonds20

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;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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (PubChem CID 157185314) has the molecular formula C85H65FN14O6 and a molecular weight of 1397.54 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;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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid
PubChem CID157185314
Molecular FormulaC85H65FN14O6
Molecular Weight1397.54 g/mol
Exact Mass1396.52
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;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.O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Nc2ccnc3ccc(F)cc23)nc1.O=C(O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Cc5ccncc5)cc4)cn3)c2c1
InChIInChI=1S/C30H24N4O2.C28H21N5O3.C27H20FN5O/c1-20(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;34-27(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,34,36);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)
InChIKeyAPAYCBJRTQKTKI-UHFFFAOYSA-N
XLogP17.48
TPSA280.88 Ų
H-Bond Donors7
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001397.54
LogP ≤ 517.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1016

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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid 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

US10023557, Example 84
CID 118665404
US9969749, Example 1-37
CID 130446833
4-(((2-(4-Methylpiperazin-1-yl)pyridin-3-yl)methyl)amino)quinoline-3-carboxylic acid
CID 138002896
4-[[6-[(E)-3-[[1-[(3,4-difluorophenyl)methyl]-2,3-dimethyl-5-oxopyrazole-4-carbonyl]amino]prop-1-enyl]quinazolin-2-yl]amino]benzoic acid
CID 44622451
5-(Trifluoromethyl)-6-[4-[[5-(trifluoromethyl)pyridin-2-yl]amino]quinolin-7-yl]pyridine-3-carboxylic acid
CID 58645737
4-[4-[5-[(1-Ethylindol-6-yl)carbamoyl]-2-pyridinyl]piperazin-1-yl]-2-fluorobenzoic acid
CID 59318044
3-fluoro-4-{4-[5-(1-ethyl-1H-indol-6-ylcarbamoyl)-pyridin-2-yl]-piperazin-1-yl}-benzoic acid
CID 59318188
4-[1-[3-[[6-(Trifluoromethyl)pyridine-3-carbonyl]amino]phenyl]ethylamino]quinazoline-8-carboxylic acid
CID 66763704
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
4-[(5-Fluoro-2-pyridinyl)amino]-2-pyridin-3-ylquinazoline-8-carboxylic acid
CID 71151373
4-[[6-[3-[[1-[(3,4-Difluorophenyl)methyl]-2,3-dimethyl-5-oxopyrazole-4-carbonyl]amino]prop-1-enyl]quinazolin-2-yl]amino]benzoic acid
CID 75083541

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;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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid (CID 157185314) 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;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;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;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.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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid?
The InChIKey is APAYCBJRTQKTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2.C28H21N5O3.C27H20FN5O/c1-20(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;34-27(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,34,36);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;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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid has a molecular weight of 1397.54 g/mol, XLogP of 17.48, 20 rotatable bonds, 7 hydrogen bond donors, and 16 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;4-[[5-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylic acid is sourced from PubChem (CID 157185314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).