N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

C18H13FN2O3 — CID 39849741

IUPACN-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C18H13FN2O3/c1-10(22)11-2-5-13(6-3-11)21-18(24)15-9-20-16-7-4-12(19)8-14(16)17(15)23/h2-9H,1H3,(H,20,23)(H,21,24)
InChIKeyXCTNZFXFYNMCGI-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.12
Rot. Bonds3

About N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39849741) has the molecular formula C18H13FN2O3 and a molecular weight of 324.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39849741
Molecular FormulaC18H13FN2O3
Molecular Weight324.31 g/mol
Exact Mass324.09
IUPAC NameN-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C18H13FN2O3/c1-10(22)11-2-5-13(6-3-11)21-18(24)15-9-20-16-7-4-12(19)8-14(16)17(15)23/h2-9H,1H3,(H,20,23)(H,21,24)
InChIKeyXCTNZFXFYNMCGI-UHFFFAOYSA-N
XLogP3.12
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
N-(4-bromophenyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831869
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
6-acetyl-4-oxo-1H-quinoline-3-carboxylate
CID 4276311

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 39849741) is N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is CC(=O)c1ccc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XCTNZFXFYNMCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3/c1-10(22)11-2-5-13(6-3-11)21-18(24)15-9-20-16-7-4-12(19)8-14(16)17(15)23/h2-9H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 324.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39849741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).