N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide

C20H22N2O2 — CID 24591088

IUPACN-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-3-13-22(15-9-5-4-6-10-15)20(24)17-14-19(23)21-18-12-8-7-11-16(17)18/h4-12,17H,2-3,13-14H2,1H3,(H,21,23)
InChIKeySNINFJKJRBZYGX-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.95
Rot. Bonds5

About N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide

N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 24591088) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID24591088
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCN(C(=O)C1CC(=O)Nc2ccccc21)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-2-3-13-22(15-9-5-4-6-10-15)20(24)17-14-19(23)21-18-12-8-7-11-16(17)18/h4-12,17H,2-3,13-14H2,1H3,(H,21,23)
InChIKeySNINFJKJRBZYGX-UHFFFAOYSA-N
XLogP3.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 43038249
(4S)-N-(3-amino-3-oxopropyl)-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52550083
2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119532564
2-methyl-3-[methyl-(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]propanoic acid
CID 119228113
N-(3-hydroxybutyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 111695611
(2S)-2-[(2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]hexanoic acid
CID 120615414
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134006789
N-butyl-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 70296770
(4S)-N-(3-ethynylphenyl)-N-[2-(methylamino)-2-oxoethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97062266
N-ethyl-7-fluoro-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24657368
N-methyl-2-oxo-N-(2-piperidin-1-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46966420
2-oxo-N-pentan-2-yl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42933282

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide (CID 24591088) is N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide is CCCCN(C(=O)C1CC(=O)Nc2ccccc21)c1ccccc1.
What is the InChIKey of N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SNINFJKJRBZYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-2-3-13-22(15-9-5-4-6-10-15)20(24)17-14-19(23)21-18-12-8-7-11-16(17)18/h4-12,17H,2-3,13-14H2,1H3,(H,21,23).
What are the key properties of N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide?
N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 24591088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).