ChemSpider 2D Image | 1-[(3R)-4-{8-[2-Chloro-4-(2-pyrimidinyloxy)phenyl]-7-fluoro-2-methyl-1H-imidazo[4,5-c]quinolin-1-yl}-3-fluoro-1-piperidinyl]-2-hydroxyethanone | C28H23ClF2N6O3

1-[(3R)-4-{8-[2-Chloro-4-(2-pyrimidinyloxy)phenyl]-7-fluoro-2-methyl-1H-imidazo[4,5-c]quinolin-1-yl}-3-fluoro-1-piperidinyl]-2-hydroxyethanone

  • Molecular FormulaC28H23ClF2N6O3
  • Average mass564.970 Da
  • Monoisotopic mass564.148804 Da
  • ChemSpider ID76801709

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[(3R)-4-{8-[2-Chlor-4-(2-pyrimidinyloxy)phenyl]-7-fluor-2-methyl-1H-imidazo[4,5-c]chinolin-1-yl}-3-fluor-1-piperidinyl]-2-hydroxyethanon [German] [ACD/IUPAC Name]
1-[(3R)-4-{8-[2-Chloro-4-(2-pyrimidinyloxy)phényl]-7-fluoro-2-méthyl-1H-imidazo[4,5-c]quinoléin-1-yl}-3-fluoro-1-pipéridinyl]-2-hydroxyéthanone [French] [ACD/IUPAC Name]
1-[(3R)-4-{8-[2-Chloro-4-(2-pyrimidinyloxy)phenyl]-7-fluoro-2-methyl-1H-imidazo[4,5-c]quinolin-1-yl}-3-fluoro-1-piperidinyl]-2-hydroxyethanone [ACD/IUPAC Name]
Ethanone, 1-[(3R)-4-[8-[2-chloro-4-(2-pyrimidinyloxy)phenyl]-7-fluoro-2-methyl-1H-imidazo[4,5-c]quinolin-1-yl]-3-fluoro-1-piperidinyl]-2-hydroxy- [ACD/Index 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: 813.9±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.0±3.0 kJ/mol
Flash Point: 446.0±37.1 °C
Index of Refraction: 1.711
Molar Refractivity: 143.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.11
ACD/BCF (pH 5.5): 115.32
ACD/KOC (pH 5.5): 857.73
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 225.31
ACD/KOC (pH 7.4): 1675.78
Polar Surface Area: 106 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 56.4±7.0 dyne/cm
Molar Volume: 367.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement