N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide

C30H23N3O2 — CID 18694113

IUPACN-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1cc(-c2ccc(-c3cccnc3)cc2)nc2ccccc12
InChIInChI=1S/C30H23N3O2/c34-20-25(17-21-7-2-1-3-8-21)32-30(35)27-18-29(33-28-11-5-4-10-26(27)28)23-14-12-22(13-15-23)24-9-6-16-31-19-24/h1-16,18-20,25H,17H2,(H,32,35)
InChIKeyIJVBYSBXARVOLS-UHFFFAOYSA-N
MW457.53 g/mol
LogP5.50
Rot. Bonds7

About N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide

N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide (PubChem CID 18694113) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
PubChem CID18694113
Molecular FormulaC30H23N3O2
Molecular Weight457.53 g/mol
Exact Mass457.18
IUPAC NameN-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1cc(-c2ccc(-c3cccnc3)cc2)nc2ccccc12
InChIInChI=1S/C30H23N3O2/c34-20-25(17-21-7-2-1-3-8-21)32-30(35)27-18-29(33-28-11-5-4-10-26(27)28)23-14-12-22(13-15-23)24-9-6-16-31-19-24/h1-16,18-20,25H,17H2,(H,32,35)
InChIKeyIJVBYSBXARVOLS-UHFFFAOYSA-N
XLogP5.50
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-phenylquinoline-4-carboxamide
CID 15489616
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-naphthalen-1-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 25180097
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
N-(4-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39311131
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 55619404
N'-(3-phenyl-1H-pyrazole-5-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide
CID 27689112
2-pyridin-3-yl-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 29369713
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide (CID 18694113) is N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide is O=CC(Cc1ccccc1)NC(=O)c1cc(-c2ccc(-c3cccnc3)cc2)nc2ccccc12.
What is the InChIKey of N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
The InChIKey is IJVBYSBXARVOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O2/c34-20-25(17-21-7-2-1-3-8-21)32-30(35)27-18-29(33-28-11-5-4-10-26(27)28)23-14-12-22(13-15-23)24-9-6-16-31-19-24/h1-16,18-20,25H,17H2,(H,32,35).
What are the key properties of N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide?
N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 18694113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).