N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C18H14N2O4 — CID 54693736

IUPACN-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H14N2O4/c1-10(21)11-6-8-12(9-7-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24/h2-9H,1H3,(H,19,23)(H2,20,22,24)
InChIKeyCKFJNNLLEOYKPV-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.69
Rot. Bonds3

About N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54693736) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54693736
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C18H14N2O4/c1-10(21)11-6-8-12(9-7-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24/h2-9H,1H3,(H,19,23)(H2,20,22,24)
InChIKeyCKFJNNLLEOYKPV-UHFFFAOYSA-N
XLogP2.69
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490
4-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 24951306
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 166443266
N-(4-acetylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474514
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 54713099
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 54689632
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54693736) is N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is CC(=O)c1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CKFJNNLLEOYKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-10(21)11-6-8-12(9-7-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24/h2-9H,1H3,(H,19,23)(H2,20,22,24).
What are the key properties of N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54693736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).