2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide

C18H16N2O2 — CID 16589971

IUPAC2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)19-17(21)15-11-14-9-5-6-10-16(14)20-18(15)22/h2-12H,1H3,(H,19,21)(H,20,22)
InChIKeyRHVLGPUMHVSFPR-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.02
Rot. Bonds3

About 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide

2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 16589971) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID16589971
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)19-17(21)15-11-14-9-5-6-10-16(14)20-18(15)22/h2-12H,1H3,(H,19,21)(H,20,22)
InChIKeyRHVLGPUMHVSFPR-UHFFFAOYSA-N
XLogP3.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
CID 42940320
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
5,6-diethyl-2-oxo-N-[(1R)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 125491409
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-2-oxo-1H-quinoline-3-carboxamide
CID 16613303
N-[1-(4-aminophenyl)ethyl]-1H-indole-2-carboxamide
CID 116650098
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-(2-amino-1-cyclopropylethyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119614890
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide (CID 16589971) is 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide is CC(NC(=O)c1cc2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is RHVLGPUMHVSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)19-17(21)15-11-14-9-5-6-10-16(14)20-18(15)22/h2-12H,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 16589971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).