ChemSpider 2D Image | 5-{3-Methyl-2-oxo-1-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl}-2-pyridinecarbonitrile | C28H22F3N7O

5-{3-Methyl-2-oxo-1-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl}-2-pyridinecarbonitrile

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID10150888

More details:

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

2-Pyridinecarbonitrile, 5-[2,3-dihydro-3-methyl-2-oxo-1-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-c]quinolin-8-yl]- [ACD/Index Name]
5-{3-Methyl-2-oxo-1-[4-(1-piperazinyl)-3-(trifluormethyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]chinolin-8-yl}-2-pyridincarbonitril [German] [ACD/IUPAC Name]
5-{3-Méthyl-2-oxo-1-[4-(1-pipérazinyl)-3-(trifluorométhyl)phényl]-2,3-dihydro-1H-imidazo[4,5-c]quinoléin-8-yl}-2-pyridinecarbonitrile [French] [ACD/IUPAC Name]
5-{3-Methyl-2-oxo-1-[4-(1-piperazinyl)-3-(trifluoromethyl)phenyl]-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl}-2-pyridinecarbonitrile [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 757.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.4±3.0 kJ/mol
Flash Point: 412.1±35.7 °C
Index of Refraction: 1.716
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.58
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 24.89
Polar Surface Area: 88 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 79.0±5.0 dyne/cm
Molar Volume: 350.7±5.0 cm3

Click to predict properties on the Chemicalize site


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