ChemSpider 2D Image | 4-{3-Chloro-4-[(ethylcarbamoyl)amino]phenoxy}-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-methyl-6-quinolinecarboxamide | C27H32ClN5O5

4-{3-Chloro-4-[(ethylcarbamoyl)amino]phenoxy}-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-methyl-6-quinolinecarboxamide

  • Molecular FormulaC27H32ClN5O5
  • Average mass542.026 Da
  • Monoisotopic mass541.209167 Da
  • ChemSpider ID9888338

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{3-Chlor-4-[(ethylcarbamoyl)amino]phenoxy}-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-methyl-6-chinolincarboxamid [German] [ACD/IUPAC Name]
4-{3-Chloro-4-[(éthylcarbamoyl)amino]phénoxy}-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-méthyl-6-quinoléinecarboxamide [French] [ACD/IUPAC Name]
4-{3-Chloro-4-[(ethylcarbamoyl)amino]phenoxy}-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-methyl-6-quinolinecarboxamide [ACD/IUPAC Name]
6-Quinolinecarboxamide, 4-[3-chloro-4-[[(ethylamino)carbonyl]amino]phenoxy]-7-[(2R)-2-hydroxy-3-(1-pyrrolidinyl)propoxy]-N-methyl- [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: 754.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 410.1±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 147.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.75
Polar Surface Area: 125 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 408.8±3.0 cm3

Click to predict properties on the Chemicalize site


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