ChemSpider 2D Image | [6-(3-Chloro-4-hydroxy-5-methoxyphenyl)-4-{[4-(3-methoxy-1-pyrrolidinyl)cyclohexyl]amino}-3-quinolinyl](cyclopropyl)methanone | C31H36ClN3O4

[6-(3-Chloro-4-hydroxy-5-methoxyphenyl)-4-{[4-(3-methoxy-1-pyrrolidinyl)cyclohexyl]amino}-3-quinolinyl](cyclopropyl)methanone

  • Molecular FormulaC31H36ClN3O4
  • Average mass550.088 Da
  • Monoisotopic mass549.239441 Da
  • ChemSpider ID76825425

More details:

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

[6-(3-Chlor-4-hydroxy-5-methoxyphenyl)-4-{[4-(3-methoxy-1-pyrrolidinyl)cyclohexyl]amino}-3-chinolinyl](cyclopropyl)methanon [German] [ACD/IUPAC Name]
[6-(3-Chloro-4-hydroxy-5-méthoxyphényl)-4-{[4-(3-méthoxy-1-pyrrolidinyl)cyclohexyl]amino}-3-quinoléinyl](cyclopropyl)méthanone [French] [ACD/IUPAC Name]
[6-(3-Chloro-4-hydroxy-5-methoxyphenyl)-4-{[4-(3-methoxy-1-pyrrolidinyl)cyclohexyl]amino}-3-quinolinyl](cyclopropyl)methanone [ACD/IUPAC Name]
Methanone, [6-(3-chloro-4-hydroxy-5-methoxyphenyl)-4-[[4-(3-methoxy-1-pyrrolidinyl)cyclohexyl]amino]-3-quinolinyl]cyclopropyl- [ACD/Index 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: 683.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 367.1±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 152.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 4.41
ACD/KOC (pH 5.5): 11.80
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 126.34
ACD/KOC (pH 7.4): 338.12
Polar Surface Area: 84 Å2
Polarizability: 60.3±0.5 10-24cm3
Surface Tension: 65.6±5.0 dyne/cm
Molar Volume: 411.1±5.0 cm3

Click to predict properties on the Chemicalize site


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