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

C16H10ClFN2O2 — CID 39849727

IUPACN-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H10ClFN2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-5-4-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyCFPOFHIXAPRMTJ-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.57
Rot. Bonds2

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

N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39849727) has the molecular formula C16H10ClFN2O2 and a molecular weight of 316.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39849727
Molecular FormulaC16H10ClFN2O2
Molecular Weight316.72 g/mol
Exact Mass316.04
IUPAC NameN-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C16H10ClFN2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-5-4-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyCFPOFHIXAPRMTJ-UHFFFAOYSA-N
XLogP3.57
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 17016539
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
2-amino-N-(3-chlorophenyl)-4-fluorobenzamide
CID 55177097
N-(3-chlorophenyl)-6,8-dimethyl-4-oxo-1H-quinoline-3-carboxamide
CID 141109827
methyl 3-[(5-fluoro-1H-indole-3-carbonyl)amino]benzoate
CID 113205725
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
(3-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methanone
CID 53414472
N-(3-chlorophenyl)-4-oxo-8-(sulfanylmethyl)-1H-quinoline-3-carboxamide
CID 141109811

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide (CID 39849727) is N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is CFPOFHIXAPRMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O2/c17-9-2-1-3-11(6-9)20-16(22)13-8-19-14-5-4-10(18)7-12(14)15(13)21/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide?
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 316.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39849727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).