ChemSpider 2D Image | Ethyl 4-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethoxy}-2-phenyl-6-quinolinecarboxylate | C27H23FN2O4

Ethyl 4-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethoxy}-2-phenyl-6-quinolinecarboxylate

  • Molecular FormulaC27H23FN2O4
  • Average mass458.481 Da
  • Monoisotopic mass458.164185 Da
  • ChemSpider ID22976326

More details:

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

4-{2-[(3-Fluoro-4-méthylphényl)amino]-2-oxoéthoxy}-2-phényl-6-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
6-Quinolinecarboxylic acid, 4-[2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethoxy]-2-phenyl-, ethyl ester [ACD/Index Name]
Ethyl 4-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethoxy}-2-phenyl-6-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{2-[(3-fluor-4-methylphenyl)amino]-2-oxoethoxy}-2-phenyl-6-chinolincarboxylat [German] [ACD/IUPAC Name]
1114871-01-0 [RN]
4-[(3-Fluoro-4-methyl-phenylcarbamoyl)-methoxy]-2-phenyl-quinoline-6-carboxylic acid ethyl ester
ethyl 4-(2-((3-fluoro-4-methylphenyl)amino)-2-oxoethoxy)-2-phenylquinoline-6-carboxylate
ethyl 4-{[(3-fluoro-4-methylphenyl)carbamoyl]methoxy}-2-phenylquinoline-6-carboxylate
ethyl 4-{2-[(3-fluoro-4-methylphenyl)amino]-2-oxoethoxy}-2-phenylquinoline-6-carboxylate
MFCD01579627

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7144.54
ACD/KOC (pH 5.5): 19212.36
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8163.46
ACD/KOC (pH 7.4): 21952.34
Polar Surface Area: 78 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

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