ChemSpider 2D Image | Methyl [7-chloro-3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-2-oxo-1(2H)-quinolinyl]acetate | C23H23ClFN3O3

Methyl [7-chloro-3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-2-oxo-1(2H)-quinolinyl]acetate

  • Molecular FormulaC23H23ClFN3O3
  • Average mass443.898 Da
  • Monoisotopic mass443.141205 Da
  • ChemSpider ID22129942

More details:

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

[7-Chloro-3-{[4-(2-fluorophényl)-1-pipérazinyl]méthyl}-2-oxo-1(2H)-quinoléinyl]acétate de méthyle [French] [ACD/IUPAC Name]
1(2H)-Quinolineacetic acid, 7-chloro-3-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-2-oxo-, methyl ester [ACD/Index Name]
Methyl [7-chloro-3-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-2-oxo-1(2H)-quinolinyl]acetate [ACD/IUPAC Name]
Methyl-[7-chlor-3-{[4-(2-fluorphenyl)-1-piperazinyl]methyl}-2-oxo-1(2H)-chinolinyl]acetat [German] [ACD/IUPAC Name]
METHYL 2-(7-CHLORO-3-{[4-(2-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}-2-OXOQUINOLIN-1-YL)ACETATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 115.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 91.26
ACD/KOC (pH 5.5): 569.10
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 405.17
ACD/KOC (pH 7.4): 2526.72
Polar Surface Area: 53 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 335.2±3.0 cm3

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