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

C16H10F2N2O2 — CID 39849776

IUPAC6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H10F2N2O2/c17-9-1-4-11(5-2-9)20-16(22)13-8-19-14-6-3-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyYCNOIZCPECXASA-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.06
Rot. Bonds2

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

6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39849776) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39849776
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC Name6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H10F2N2O2/c17-9-1-4-11(5-2-9)20-16(22)13-8-19-14-6-3-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyYCNOIZCPECXASA-UHFFFAOYSA-N
XLogP3.06
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
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
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
6-methoxy-N-(4-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831865
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 30131667
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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 39849776) is 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc(F)cc1)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YCNOIZCPECXASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-9-1-4-11(5-2-9)20-16(22)13-8-19-14-6-3-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22).
What are the key properties of 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 300.26 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39849776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).