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

C17H13FN2O3 — CID 54706964

IUPACN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1F
InChIInChI=1S/C17H13FN2O3/c1-9-6-7-10(8-12(9)18)19-16(22)14-15(21)11-4-2-3-5-13(11)20-17(14)23/h2-8H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyVKXRCXGMRDBJMR-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.93
Rot. Bonds2

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

N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54706964) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54706964
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1F
InChIInChI=1S/C17H13FN2O3/c1-9-6-7-10(8-12(9)18)19-16(22)14-15(21)11-4-2-3-5-13(11)20-17(14)23/h2-8H,1H3,(H,19,22)(H2,20,21,23)
InChIKeyVKXRCXGMRDBJMR-UHFFFAOYSA-N
XLogP2.93
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490
4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 54689632
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
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-(3-chlorophenyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24948900
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
N-[2-(ethylamino)ethyl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54677806
1-benzyl-N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727021
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54706964) is N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is Cc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is VKXRCXGMRDBJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-9-6-7-10(8-12(9)18)19-16(22)14-15(21)11-4-2-3-5-13(11)20-17(14)23/h2-8H,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54706964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).