1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide

C22H24N2O3 — CID 54682638

IUPAC1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-2-3-15-24-18-12-8-7-11-17(18)20(25)19(22(24)27)21(26)23-14-13-16-9-5-4-6-10-16/h4-12,25H,2-3,13-15H2,1H3,(H,23,26)
InChIKeyOAASGLOMBQATPO-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.48
Rot. Bonds7

About 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide

1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (PubChem CID 54682638) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
PubChem CID54682638
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-2-3-15-24-18-12-8-7-11-17(18)20(25)19(22(24)27)21(26)23-14-13-16-9-5-4-6-10-16/h4-12,25H,2-3,13-15H2,1H3,(H,23,26)
InChIKeyOAASGLOMBQATPO-UHFFFAOYSA-N
XLogP3.48
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 54687870
1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680132
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683802
diethyl-[2-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]ethyl]azanium chloride
CID 54750247
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (CID 54682638) is 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The InChIKey is OAASGLOMBQATPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-3-15-24-18-12-8-7-11-17(18)20(25)19(22(24)27)21(26)23-14-13-16-9-5-4-6-10-16/h4-12,25H,2-3,13-15H2,1H3,(H,23,26).
What are the key properties of 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54682638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).