6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide

C16H9ClF2N2O2 — CID 17016539

IUPAC6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H9ClF2N2O2/c17-8-1-2-14-12(3-8)15(22)13(7-20-14)16(23)21-11-5-9(18)4-10(19)6-11/h1-7H,(H,20,22)(H,21,23)
InChIKeyUOPFAPXLDXNYCF-UHFFFAOYSA-N
MW334.71 g/mol
LogP3.71
Rot. Bonds2

About 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide

6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 17016539) has the molecular formula C16H9ClF2N2O2 and a molecular weight of 334.71 g/mol. Its IUPAC name is 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID17016539
Molecular FormulaC16H9ClF2N2O2
Molecular Weight334.71 g/mol
Exact Mass334.03
IUPAC Name6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(F)cc(F)c1)c1c[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H9ClF2N2O2/c17-8-1-2-14-12(3-8)15(22)13(7-20-14)16(23)21-11-5-9(18)4-10(19)6-11/h1-7H,(H,20,22)(H,21,23)
InChIKeyUOPFAPXLDXNYCF-UHFFFAOYSA-N
XLogP3.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
6-chloro-4-oxo-1H-quinoline-3-carboxamide
CID 601266
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
(5-chloro-1H-indol-3-yl)-(3,5-difluorophenyl)methanone
CID 63878183
N-(4-acetylphenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849741
2-amino-4-chloro-N-(3,5-difluorophenyl)benzamide
CID 16783519
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 17016539) is 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cc(F)cc(F)c1)c1c[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is UOPFAPXLDXNYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N2O2/c17-8-1-2-14-12(3-8)15(22)13(7-20-14)16(23)21-11-5-9(18)4-10(19)6-11/h1-7H,(H,20,22)(H,21,23).
What are the key properties of 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 334.71 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 17016539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).