ChemSpider 2D Image | (4R,7S)-2-Amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C27H30N4O4

(4R,7S)-2-Amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC27H30N4O4
  • Average mass474.552 Da
  • Monoisotopic mass474.226715 Da
  • ChemSpider ID62607534

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,7S)-2-Amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
(4R,7S)-2-Amino-1-(diméthylamino)-5-oxo-7-phényl-4-(3,4,5-triméthoxyphényl)-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
(4R,7S)-2-Amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1-(dimethylamino)-1,4,5,6,7,8-hexahydro-5-oxo-7-phenyl-4-(3,4,5-trimethoxyphenyl)-, (4R,7S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 658.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 351.9±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 163.35
ACD/KOC (pH 5.5): 1209.03
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 230.79
ACD/KOC (pH 7.4): 1708.24
Polar Surface Area: 101 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 367.4±5.0 cm3

Click to predict properties on the Chemicalize site


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