ChemSpider 2D Image | 6-Fluoro-2-methyl-N-[(9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-quinolinecarboxamide | C21H26FN3O

6-Fluoro-2-methyl-N-[(9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-quinolinecarboxamide

  • Molecular FormulaC21H26FN3O
  • Average mass355.449 Da
  • Monoisotopic mass355.205994 Da
  • ChemSpider ID64974562

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

4-Quinolinecarboxamide, 6-fluoro-2-methyl-N-[[(9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
6-Fluor-2-methyl-N-[(9aR)-octahydro-2H-chinolizin-1-ylmethyl]-4-chinolincarboxamid [German] [ACD/IUPAC Name]
6-Fluoro-2-méthyl-N-[(9aR)-octahydro-2H-quinolizin-1-ylméthyl]-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
6-Fluoro-2-methyl-N-[(9aR)-octahydro-2H-quinolizin-1-ylmethyl]-4-quinolinecarboxamide [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 528.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 273.6±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 101.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.39
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.97
Polar Surface Area: 45 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 53.1±5.0 dyne/cm
Molar Volume: 291.6±5.0 cm3

Click to predict properties on the Chemicalize site


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