ChemSpider 2D Image | 2-[(2-Cyanoethyl)(phenyl)amino]-2-oxoethyl 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylate | C30H27N3O6

2-[(2-Cyanoethyl)(phenyl)amino]-2-oxoethyl 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylate

  • Molecular FormulaC30H27N3O6
  • Average mass525.552 Da
  • Monoisotopic mass525.190002 Da
  • ChemSpider ID1757951

More details:

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

2-(3,4,5-Triméthoxyphényl)-4-quinoléinecarboxylate de 2-[(2-cyanoéthyl)(phényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
2-[(2-Cyanethyl)(phenyl)amino]-2-oxoethyl-2-(3,4,5-trimethoxyphenyl)-4-chinolincarboxylat [German] [ACD/IUPAC Name]
2-[(2-Cyanoethyl)(phenyl)amino]-2-oxoethyl 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylate [ACD/IUPAC Name]
4-Quinolinecarboxylic acid, 2-(3,4,5-trimethoxyphenyl)-, 2-[(2-cyanoethyl)phenylamino]-2-oxoethyl ester [ACD/Index Name]

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

ZINC03235619 [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: 723.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.5±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 824.42
ACD/KOC (pH 5.5): 4255.15
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 824.87
ACD/KOC (pH 7.4): 4257.43
Polar Surface Area: 111 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 54.1±3.0 dyne/cm
Molar Volume: 414.4±3.0 cm3

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