N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

C16H9F3N2O2 — CID 39849781

IUPACN-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H9F3N2O2/c17-8-1-3-13-10(5-8)15(22)11(7-20-13)16(23)21-14-4-2-9(18)6-12(14)19/h1-7H,(H,20,22)(H,21,23)
InChIKeyHZDFFZIGXHVUSQ-UHFFFAOYSA-N
MW318.25 g/mol
LogP3.20
Rot. Bonds2

About N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide

N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39849781) has the molecular formula C16H9F3N2O2 and a molecular weight of 318.25 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39849781
Molecular FormulaC16H9F3N2O2
Molecular Weight318.25 g/mol
Exact Mass318.06
IUPAC NameN-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H9F3N2O2/c17-8-1-3-13-10(5-8)15(22)11(7-20-13)16(23)21-14-4-2-9(18)6-12(14)19/h1-7H,(H,20,22)(H,21,23)
InChIKeyHZDFFZIGXHVUSQ-UHFFFAOYSA-N
XLogP3.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
6-fluoro-4-oxo-N-[4-propan-2-yl-2-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxamide
CID 53245935
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
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,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 39849781) is N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc(F)cc1F)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is HZDFFZIGXHVUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O2/c17-8-1-3-13-10(5-8)15(22)11(7-20-13)16(23)21-14-4-2-9(18)6-12(14)19/h1-7H,(H,20,22)(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 318.25 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39849781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).