ChemSpider 2D Image | Tetrahydro-2-furanylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C30H33N3O6

Tetrahydro-2-furanylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC30H33N3O6
  • Average mass531.599 Da
  • Monoisotopic mass531.236938 Da
  • ChemSpider ID2238971

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-(4-nitrophenyl)-5-oxo-, (tetrahydro-2-furanyl)methyl ester [ACD/Index Name]
7-[4-(Diméthylamino)phényl]-2-méthyl-4-(4-nitrophényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de tétrahydro-2-furanylméthyle [French] [ACD/IUPAC Name]
Tetrahydro-2-furanylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Tetrahydro-2-furanylmethyl-7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
oxolan-2-ylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
tetrahydrofuran-2-ylmethyl 7-[4-(dimethylamino)phenyl]-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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: 733.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 4.03
ACD/BCF (pH 5.5): 581.64
ACD/KOC (pH 5.5): 2764.05
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1090.74
ACD/KOC (pH 7.4): 5183.36
Polar Surface Area: 114 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

Click to predict properties on the Chemicalize site


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