ChemSpider 2D Image | 7-(4-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-4-oxobutoxy)-1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one | C31H29F2N5O3

7-(4-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-4-oxobutoxy)-1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one

  • Molecular FormulaC31H29F2N5O3
  • Average mass557.591 Da
  • Monoisotopic mass557.223816 Da
  • ChemSpider ID23179650

More details:

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

1-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-4-[(2-hydroxy-4H-imidazo[4,5-b]quinolin-7-yl)oxy]butan-1-one
1-Butanone, 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazinyl]-4-[(2-hydroxy-4H-imidazo[4,5-b]quinolin-7-yl)oxy]- [ACD/Index Name]
7-(4-{4-[Bis(4-fluorophényl)méthyl]-1-pipérazinyl}-4-oxobutoxy)-1,3-dihydro-2H-imidazo[4,5-b]quinoléin-2-one [French] [ACD/IUPAC Name]
7-(4-{4-[Bis(4-fluorophenyl)methyl]-1-piperazinyl}-4-oxobutoxy)-1,3-dihydro-2H-imidazo[4,5-b]quinolin-2-one [ACD/IUPAC Name]
7-(4-{4-[Bis(4-fluorphenyl)methyl]-1-piperazinyl}-4-oxobutoxy)-1,3-dihydro-2H-imidazo[4,5-b]chinolin-2-on [German] [ACD/IUPAC Name]
7-(4-{4-[Bis-(4-fluoro-phenyl)-methyl]-piperazin-1-yl}-4-oxo-butoxy)-1,3-dihydro-imidazo[4,5-b]quinolin-2-one(2HCl)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 732.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±35.7 °C
Index of Refraction: 1.669
Molar Refractivity: 150.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 4.38
ACD/KOC (pH 5.5): 29.91
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 3.07
ACD/KOC (pH 7.4): 20.97
Polar Surface Area: 90 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 52.2±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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