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

C23H17FN2O3 — CID 54736642

IUPACN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1F
InChIInChI=1S/C23H17FN2O3/c1-14-11-12-15(13-18(14)24)25-22(28)20-21(27)17-9-5-6-10-19(17)26(23(20)29)16-7-3-2-4-8-16/h2-13,27H,1H3,(H,25,28)
InChIKeyPMLUMNWANKRFMC-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.40
Rot. Bonds3

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

N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (PubChem CID 54736642) has the molecular formula C23H17FN2O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
PubChem CID54736642
Molecular FormulaC23H17FN2O3
Molecular Weight388.40 g/mol
Exact Mass388.12
IUPAC NameN-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1F
InChIInChI=1S/C23H17FN2O3/c1-14-11-12-15(13-18(14)24)25-22(28)20-21(27)17-9-5-6-10-19(17)26(23(20)29)16-7-3-2-4-8-16/h2-13,27H,1H3,(H,25,28)
InChIKeyPMLUMNWANKRFMC-UHFFFAOYSA-N
XLogP4.40
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide (CID 54736642) is N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is Cc1ccc(NC(=O)c2c(O)c3ccccc3n(-c3ccccc3)c2=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
The InChIKey is PMLUMNWANKRFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O3/c1-14-11-12-15(13-18(14)24)25-22(28)20-21(27)17-9-5-6-10-19(17)26(23(20)29)16-7-3-2-4-8-16/h2-13,27H,1H3,(H,25,28).
What are the key properties of N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide is sourced from PubChem (CID 54736642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).