7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide

C31H26N4O2 — CID 10184681

IUPAC7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
SMILESCCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2c1)c1ccccn1
InChIInChI=1S/C31H26N4O2/c1-2-27(28-14-8-9-17-32-28)35-30(36)23-18-22-15-16-24(19-29(22)33-20-23)34-31(37)26-13-7-6-12-25(26)21-10-4-3-5-11-21/h3-20,27H,2H2,1H3,(H,34,37)(H,35,36)
InChIKeyOJTRZXOAXYDOHA-UHFFFAOYSA-N
MW486.58 g/mol
LogP6.43
Rot. Bonds7

About 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide

7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide (PubChem CID 10184681) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
PubChem CID10184681
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC Name7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
SMILESCCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2c1)c1ccccn1
InChIInChI=1S/C31H26N4O2/c1-2-27(28-14-8-9-17-32-28)35-30(36)23-18-22-15-16-24(19-29(22)33-20-23)34-31(37)26-13-7-6-12-25(26)21-10-4-3-5-11-21/h3-20,27H,2H2,1H3,(H,34,37)(H,35,36)
InChIKeyOJTRZXOAXYDOHA-UHFFFAOYSA-N
XLogP6.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[[2-(cyclohexylmethoxy)benzoyl]amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide
CID 90857782
2-phenyl-N-[(1R)-1-pyridin-2-ylpropyl]benzamide
CID 95191323
ethanesulfonic acid;N-(1-pyridin-2-ylethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10283066
N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
ethyl 7-[[2-(4-ethylphenyl)benzoyl]amino]quinoline-3-carboxylate
CID 70162303
7-[[3-methyl-2-[5-(trifluoromethyl)-2-pyridinyl]benzoyl]amino]-N-(1-pyridin-2-ylethyl)quinoline-3-carboxamide
CID 90893999
N-cyclopropyl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10140350
N-(thiophen-2-ylmethyl)-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10189630
7-[[2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]quinoline-3-carboxylic acid
CID 22736861
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
N-[(1R)-1-pyridin-2-ylpropyl]-8-[4-(trifluoromethyl)phenoxy]quinoline-3-carboxamide
CID 155262090
3-hydroxy-2-(quinoline-3-carbonylamino)propanoic acid
CID 110489479

Frequently Asked Questions

What is the IUPAC name of 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
The IUPAC name of 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide (CID 10184681) is 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide.
What is the SMILES notation for 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
The canonical SMILES for 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide is CCC(NC(=O)c1cnc2cc(NC(=O)c3ccccc3-c3ccccc3)ccc2c1)c1ccccn1.
What is the InChIKey of 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
The InChIKey is OJTRZXOAXYDOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c1-2-27(28-14-8-9-17-32-28)35-30(36)23-18-22-15-16-24(19-29(22)33-20-23)34-31(37)26-13-7-6-12-25(26)21-10-4-3-5-11-21/h3-20,27H,2H2,1H3,(H,34,37)(H,35,36).
What are the key properties of 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide?
7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 6.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-phenylbenzoyl)amino]-N-(1-pyridin-2-ylpropyl)quinoline-3-carboxamide is sourced from PubChem (CID 10184681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).