2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide

C15H18N2O2 — CID 42940320

IUPAC2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-3-6-10(2)16-14(18)12-9-11-7-4-5-8-13(11)17-15(12)19/h4-5,7-10H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIYHOKUNDFVKMFV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.45
Rot. Bonds4

About 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide

2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide (PubChem CID 42940320) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
PubChem CID42940320
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide
SMILESCCCC(C)NC(=O)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H18N2O2/c1-3-6-10(2)16-14(18)12-9-11-7-4-5-8-13(11)17-15(12)19/h4-5,7-10H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyIYHOKUNDFVKMFV-UHFFFAOYSA-N
XLogP2.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide 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

2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1H-quinoline-3-carboxamide
CID 120650317
N-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 16613028
N-(2-amino-1-cyclopropylethyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 119614890
2-[(2-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
CID 66951790
N-(2-bromoethyl)-2-oxo-1H-quinoline-3-carboxamide
CID 142731854
6-ethyl-5-iodo-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125491217
5-chloro-6-ethyl-2-oxo-N-[(2R)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 125490940
N-(4-hydroxybutan-2-yl)-1H-indole-2-carboxamide
CID 81042932
2-ethyl-2-[[(2-oxo-1H-quinoline-3-carbonyl)amino]methyl]butanoic acid
CID 122126262
N-[(4-chlorophenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 123757934
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide?
The IUPAC name of 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide (CID 42940320) is 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide?
The canonical SMILES for 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide is CCCC(C)NC(=O)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide?
The InChIKey is IYHOKUNDFVKMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-6-10(2)16-14(18)12-9-11-7-4-5-8-13(11)17-15(12)19/h4-5,7-10H,3,6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide?
2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pentan-2-yl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 42940320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).