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

C17H14N2O3 — CID 54684062

IUPAC4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H14N2O3/c1-10-5-4-6-11(9-10)18-16(21)14-15(20)12-7-2-3-8-13(12)19-17(14)22/h2-9H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyLLUZBXPRDICPGL-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.79
Rot. Bonds2

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

4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54684062) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54684062
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1
InChIInChI=1S/C17H14N2O3/c1-10-5-4-6-11(9-10)18-16(21)14-15(20)12-7-2-3-8-13(12)19-17(14)22/h2-9H,1H3,(H,18,21)(H2,19,20,22)
InChIKeyLLUZBXPRDICPGL-UHFFFAOYSA-N
XLogP2.79
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Roquinimex
CID 54676478
2,4-Dihydroxyquinoline
CID 54680871
Paquinimod
CID 54684617
4-Hydroxy-N-methylcarbostyril
CID 54686436
N-(1-Benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl)glycine
CID 54685215
3-Quinolinecarboxamide, 1,2-dihydro-N-hexyl-4-hydroxy-2-oxo-
CID 54677800
Zanthobisquinolone
CID 54688597
N-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54680441
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide (CID 54684062) is 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide is Cc1cccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1.
What is the InChIKey of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LLUZBXPRDICPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-10-5-4-6-11(9-10)18-16(21)14-15(20)12-7-2-3-8-13(12)19-17(14)22/h2-9H,1H3,(H,18,21)(H2,19,20,22).
What are the key properties of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide?
4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylphenyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54684062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).