ChemSpider 2D Image | Ethyl 4-{4-[(4-cyanophenyl)carbamoyl]-1-piperazinyl}-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarboxylate | C33H41N7O5

Ethyl 4-{4-[(4-cyanophenyl)carbamoyl]-1-piperazinyl}-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarboxylate

  • Molecular FormulaC33H41N7O5
  • Average mass615.722 Da
  • Monoisotopic mass615.316895 Da
  • ChemSpider ID8408190

More details:

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

3-Quinolinecarboxylic acid, 4-[4-[[(4-cyanophenyl)amino]carbonyl]-1-piperazinyl]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-, ethyl ester [ACD/Index Name]
4-{4-[(4-Cyanophényl)carbamoyl]-1-pipérazinyl}-6-méthoxy-7-[3-(4-méthyl-1-pipérazinyl)propoxy]-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{4-[(4-cyanophenyl)carbamoyl]-1-piperazinyl}-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{4-[(4-cyanphenyl)carbamoyl]-1-piperazinyl}-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-chinolincarboxylat [German] [ACD/IUPAC 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: 828.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 455.1±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): -1.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.13
Polar Surface Area: 124 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 466.4±5.0 cm3

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