N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide

C13H14N2O3 — CID 54685498

IUPACN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide
SMILESCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-2-5-10(16)15-11-12(17)8-6-3-4-7-9(8)14-13(11)18/h3-4,6-7H,2,5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWWWLRHBPNGQELC-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.97
Rot. Bonds3

About N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide

N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide (PubChem CID 54685498) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide
PubChem CID54685498
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide
SMILESCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C13H14N2O3/c1-2-5-10(16)15-11-12(17)8-6-3-4-7-9(8)14-13(11)18/h3-4,6-7H,2,5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyWWWLRHBPNGQELC-UHFFFAOYSA-N
XLogP1.97
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Dihydroxyquinoline
CID 54680871
4-Hydroxy-N-methylcarbostyril
CID 54686436
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
Flindersine
CID 68230
Ethyl 4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 54684458
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(1-methylethyl)-2-oxo-
CID 54679386
4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CID 54694513
N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetamide
CID 54686494
2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)-N,N-bis(3-methylbutyl)acetamide
CID 54688356
4-hydroxy-2-oxo-N'-pentanoyl-1,2-dihydroquinoline-3-carbohydrazide
CID 54703728
1-Butyl-4-hydroxy-N-(3-methylphenyl)-2-oxo-1,2-dihydro-3-quinolinecarboxamide
CID 54683118

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide?
The IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide (CID 54685498) is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide.
What is the SMILES notation for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide?
The canonical SMILES for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide is CCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide?
The InChIKey is WWWLRHBPNGQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-2-5-10(16)15-11-12(17)8-6-3-4-7-9(8)14-13(11)18/h3-4,6-7H,2,5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide?
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide has a molecular weight of 246.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)butanamide is sourced from PubChem (CID 54685498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).