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

C18H16N2O3 — CID 54677764

IUPAC4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1c(O)c2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-11(12-7-3-2-4-8-12)19-17(22)15-16(21)13-9-5-6-10-14(13)20-18(15)23/h2-11H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyKJJFRYZWFLLCMV-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.72
Rot. Bonds3

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

4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide (PubChem CID 54677764) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
PubChem CID54677764
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1c(O)c2ccccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C18H16N2O3/c1-11(12-7-3-2-4-8-12)19-17(22)15-16(21)13-9-5-6-10-14(13)20-18(15)23/h2-11H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyKJJFRYZWFLLCMV-UHFFFAOYSA-N
XLogP2.72
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-oxo-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 54725735
2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 16589971
3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 59106006
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
3-methyl-2-oxo-N-propan-2-yl-1H-quinoline-4-carboxamide
CID 170238348
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
4-hydroxy-N-[(4-methoxyphenyl)methyl]-2-oxo-1H-quinoline-3-carboxamide
CID 54684670
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide (CID 54677764) is 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide is CC(NC(=O)c1c(O)c2ccccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
The InChIKey is KJJFRYZWFLLCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-11(12-7-3-2-4-8-12)19-17(22)15-16(21)13-9-5-6-10-14(13)20-18(15)23/h2-11H,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide?
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54677764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).