ChemSpider 2D Image | 1-[4-(4-Ethyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-3-methyl-8-(3-pyridinyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one | C29H27F3N6O

1-[4-(4-Ethyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-3-methyl-8-(3-pyridinyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID10152375

More details:

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

1-[4-(4-Ethyl-1-piperazinyl)-3-(trifluormethyl)phenyl]-3-methyl-8-(3-pyridinyl)-1,3-dihydro-2H-imidazo[4,5-c]chinolin-2-on [German] [ACD/IUPAC Name]
1-[4-(4-Éthyl-1-pipérazinyl)-3-(trifluorométhyl)phényl]-3-méthyl-8-(3-pyridinyl)-1,3-dihydro-2H-imidazo[4,5-c]quinoléin-2-one [French] [ACD/IUPAC Name]
1-[4-(4-Ethyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-3-methyl-8-(3-pyridinyl)-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one [ACD/IUPAC Name]
2H-Imidazo[4,5-c]quinolin-2-one, 1-[4-(4-ethyl-1-piperazinyl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-3-methyl-8-(3-pyridinyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.4±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 142.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 11.69
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 142.74
ACD/KOC (pH 7.4): 932.90
Polar Surface Area: 56 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 401.6±3.0 cm3

Click to predict properties on the Chemicalize site


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