ChemSpider 2D Image | 3-Ethyl 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate | C30H33NO7

3-Ethyl 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID4480134

More details:

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

3,6-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[3-methoxy-4-(phenylmethoxy)phenyl]-2,7-dimethyl-5-oxo-, 3-ethyl 6-methyl ester [ACD/Index Name]
3-Ethyl 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate [ACD/IUPAC Name]
3-Ethyl-6-methyl-4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-chinolindicarboxylat [German] [ACD/IUPAC Name]
4-[4-(Benzyloxy)-3-méthoxyphényl]-2,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinoléinedicarboxylate de 3-éthyle et de 6-méthyle [French] [ACD/IUPAC Name]
3-ethyl 6-methyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
methyl 3-(ethoxycarbonyl)-4-[3-methoxy-4-(phenylmethoxy)phenyl]-2,7-dimethyl-5-oxo-1,4,6,7,8-pentahydroquinoline-6-carboxylate

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

UNM000000761701 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.3±31.5 °C
Index of Refraction: 1.594
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2259.71
ACD/KOC (pH 5.5): 8758.40
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2259.64
ACD/KOC (pH 7.4): 8758.14
Polar Surface Area: 100 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 414.2±5.0 cm3

Click to predict properties on the Chemicalize site


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