N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide

C21H15N3O2 — CID 51114321

IUPACN-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H15N3O2/c25-20-10-11-22-13-19(20)24-21(26)16-12-18(14-6-2-1-3-7-14)23-17-9-5-4-8-15(16)17/h1-13H,(H,22,25)(H,24,26)
InChIKeyWZSYAWUWIZOXCB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.84
Rot. Bonds3

About N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide

N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 51114321) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
PubChem CID51114321
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC NameN-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1c[nH]ccc1=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H15N3O2/c25-20-10-11-22-13-19(20)24-21(26)16-12-18(14-6-2-1-3-7-14)23-17-9-5-4-8-15(16)17/h1-13H,(H,22,25)(H,24,26)
InChIKeyWZSYAWUWIZOXCB-UHFFFAOYSA-N
XLogP3.84
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-phenylquinoline-4-carboxamide
CID 7157915
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(5-chloro-2-hydroxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1310618
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
CID 166336345
N-(4-chloro-2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 2923025
N-(2,5-dimethylpyrazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 51307625
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide (CID 51114321) is N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide is O=C(Nc1c[nH]ccc1=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is WZSYAWUWIZOXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-20-10-11-22-13-19(20)24-21(26)16-12-18(14-6-2-1-3-7-14)23-17-9-5-4-8-15(16)17/h1-13H,(H,22,25)(H,24,26).
What are the key properties of N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide?
N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 51114321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).