ChemSpider 2D Image | 1-{4-[7-Chloro-3-({[2-(2-fluorophenyl)ethyl]amino}methyl)-2-quinolinyl]-1-piperazinyl}ethanone | C24H26ClFN4O

1-{4-[7-Chloro-3-({[2-(2-fluorophenyl)ethyl]amino}methyl)-2-quinolinyl]-1-piperazinyl}ethanone

  • Molecular FormulaC24H26ClFN4O
  • Average mass440.941 Da
  • Monoisotopic mass440.177917 Da
  • ChemSpider ID22202824

More details:

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

1-{4-[7-Chlor-3-({[2-(2-fluorphenyl)ethyl]amino}methyl)-2-chinolinyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
1-{4-[7-Chloro-3-({[2-(2-fluorophényl)éthyl]amino}méthyl)-2-quinoléinyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
1-{4-[7-Chloro-3-({[2-(2-fluorophenyl)ethyl]amino}methyl)-2-quinolinyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
Ethanone, 1-[4-[7-chloro-3-[[[2-(2-fluorophenyl)ethyl]amino]methyl]-2-quinolinyl]-1-piperazinyl]- [ACD/Index Name]
N-{[2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolinyl]methyl}-2-(2-fluorophenyl)ethanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 635.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 122.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 7.90
ACD/KOC (pH 5.5): 40.95
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 342.10
ACD/KOC (pH 7.4): 1772.55
Polar Surface Area: 48 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 346.4±3.0 cm3

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