ChemSpider 2D Image | 7-Methyl-1-(tetrahydro-2H-pyran-4-yl)-8-({4-[3-(trifluoromethoxy)propyl]-1-piperazinyl}carbonyl)-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one | C25H30F3N5O4

7-Methyl-1-(tetrahydro-2H-pyran-4-yl)-8-({4-[3-(trifluoromethoxy)propyl]-1-piperazinyl}carbonyl)-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one

  • Molecular FormulaC25H30F3N5O4
  • Average mass521.532 Da
  • Monoisotopic mass521.224976 Da
  • ChemSpider ID58940215

More details:

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

4H-Pyrazolo[4,3-c]quinolin-4-one, 1,5-dihydro-7-methyl-1-(tetrahydro-2H-pyran-4-yl)-8-[[4-[3-(trifluoromethoxy)propyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
7-Methyl-1-(tetrahydro-2H-pyran-4-yl)-8-({4-[3-(trifluormethoxy)propyl]-1-piperazinyl}carbonyl)-1,5-dihydro-4H-pyrazolo[4,3-c]chinolin-4-on [German] [ACD/IUPAC Name]
7-Méthyl-1-(tétrahydro-2H-pyran-4-yl)-8-({4-[3-(trifluorométhoxy)propyl]-1-pipérazinyl}carbonyl)-1,5-dihydro-4H-pyrazolo[4,3-c]quinoléin-4-one [French] [ACD/IUPAC Name]
7-Methyl-1-(tetrahydro-2H-pyran-4-yl)-8-({4-[3-(trifluoromethoxy)propyl]-1-piperazinyl}carbonyl)-1,5-dihydro-4H-pyrazolo[4,3-c]quinolin-4-one [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: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 326.0±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 127.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 0.99
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 2.78
ACD/KOC (pH 5.5): 47.84
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.46
ACD/KOC (pH 7.4): 197.13
Polar Surface Area: 89 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 50.6±7.0 dyne/cm
Molar Volume: 354.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement