ChemSpider 2D Image | 6-Fluoro-2-(2'-fluoro-4-biphenylyl)-3-methyl-4-quinolinecarboxylate | C23H14F2NO2

6-Fluoro-2-(2'-fluoro-4-biphenylyl)-3-methyl-4-quinolinecarboxylate

  • Molecular FormulaC23H14F2NO2
  • Average mass374.360 Da
  • Monoisotopic mass374.099823 Da
  • ChemSpider ID34975271

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Quinolinecarboxylic acid, 6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methyl-, ion(1-) [ACD/Index Name]
6-Fluor-2-(2'-fluor-4-biphenylyl)-3-methyl-4-chinolincarboxylat [German] [ACD/IUPAC Name]
6-Fluoro-2-(2'-fluoro-4-biphénylyl)-3-méthyl-4-quinoléinecarboxylate [French] [ACD/IUPAC Name]
6-Fluoro-2-(2'-fluoro-4-biphenylyl)-3-methyl-4-quinolinecarboxylate [ACD/IUPAC Name]
6-fluoro-2-(2'-fluoro[1,1'-biphenyl]-4-yl)-3-methylquinoline-4-carboxylate
6-fluoro-2-(2'-fluoro[biphenyl]-4-yl)-3-methylquinoline-4-carboxylate
brequinar anion
brequinar(1-)
CHEMBL300058
  • Miscellaneous

    • Chemical Class:

      A quinolinemonocarboxylate that is the conjugate base of brequinar arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. ChEBI CHEBI:177870

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 33.19
ACD/KOC (pH 5.5): 70.35
ACD/LogD (pH 7.4): 2.79
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 28.89
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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