ChemSpider 2D Image | Ethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C31H32N2O5

Ethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC31H32N2O5
  • Average mass512.596 Da
  • Monoisotopic mass512.231140 Da
  • ChemSpider ID2238640

More details:

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

3-Quinolinecarboxylic acid, 7-[4-(dimethylamino)phenyl]-1,4,5,6,7,8-hexahydro-2-methyl-4-(6-methyl-4-oxo-4H-1-benzopyran-3-yl)-5-oxo-, ethyl ester [ACD/Index Name]
7-[4-(Diméthylamino)phényl]-2-méthyl-4-(6-méthyl-4-oxo-4H-chromén-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-7-[4-(dimethylamino)phenyl]-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
ethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(6-methyl-4-oxochromen-3-yl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.2±3.0 kJ/mol
Flash Point: 371.6±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 143.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 968.15
ACD/KOC (pH 5.5): 3980.53
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1815.55
ACD/KOC (pH 7.4): 7464.60
Polar Surface Area: 85 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 397.9±5.0 cm3

Click to predict properties on the Chemicalize site


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