ChemSpider 2D Image | 5-({4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one | C23H20F3N3O2

5-({4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

  • Molecular FormulaC23H20F3N3O2
  • Average mass427.419 Da
  • Monoisotopic mass427.150757 Da
  • ChemSpider ID23009155

More details:

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

5-({4-[3-(Trifluormethyl)phenyl]-1-piperazinyl}carbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]chinolin-6-on [German] [ACD/IUPAC Name]
5-({4-[3-(Trifluorométhyl)phényl]-1-pipérazinyl}carbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinoléin-6-one [French] [ACD/IUPAC Name]
5-({4-[3-(Trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one [ACD/IUPAC Name]
6H-Pyrrolo[3,2,1-ij]quinolin-6-one, 1,2-dihydro-5-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]carbonyl]- [ACD/Index Name]
5-({4-[3-(trifluoromethyl)phenyl]piperazino}carbonyl)-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 603.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.7±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 88.67
ACD/KOC (pH 5.5): 862.62
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.68
ACD/KOC (pH 7.4): 862.72
Polar Surface Area: 44 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 61.5±5.0 dyne/cm
Molar Volume: 293.3±5.0 cm3

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