N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide

C16H10F2N2O2 — CID 30131667

IUPACN-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H10F2N2O2/c17-9-5-6-12(18)14(7-9)20-16(22)11-8-19-13-4-2-1-3-10(13)15(11)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyDNYAOCZFZIPCCR-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.06
Rot. Bonds2

About N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide

N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 30131667) has the molecular formula C16H10F2N2O2 and a molecular weight of 300.26 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID30131667
Molecular FormulaC16H10F2N2O2
Molecular Weight300.26 g/mol
Exact Mass300.07
IUPAC NameN-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C16H10F2N2O2/c17-9-5-6-12(18)14(7-9)20-16(22)11-8-19-13-4-2-1-3-10(13)15(11)21/h1-8H,(H,19,21)(H,20,22)
InChIKeyDNYAOCZFZIPCCR-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-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
N-(2,5-difluorophenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 7901301
N-(2,5-dichloro-3-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 87101826
[2-tert-butyl-4-fluoro-6-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl] methyl carbonate
CID 66675011
6-fluoro-N-(4-fluorophenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39849776
N-[4-(1-adamantyl)-2-fluoro-5-hydroxyphenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87101810
N-(5-hydroxy-2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 169084828
N-[2-fluoro-5-hydroxy-4-(1-methylcyclohexyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 87101825
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 30463952
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide (CID 30131667) is N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is DNYAOCZFZIPCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2O2/c17-9-5-6-12(18)14(7-9)20-16(22)11-8-19-13-4-2-1-3-10(13)15(11)21/h1-8H,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide?
N-(2,5-difluorophenyl)-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 N-(2,5-difluorophenyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 30131667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).