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ChemSpider 2D Image | 4-{[(1R,2S)-2-(2-Fluorophenyl)cyclopropyl]amino}-6,7-dimethoxy-3-quinolinecarbonitrile | C21H18FN3O2

4-{[(1R,2S)-2-(2-Fluorophenyl)cyclopropyl]amino}-6,7-dimethoxy-3-quinolinecarbonitrile

  • Molecular FormulaC21H18FN3O2
  • Average mass363.385 Da
  • Monoisotopic mass363.138306 Da
  • ChemSpider ID23307357

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 4-[[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]amino]-6,7-dimethoxy- [ACD/Index Name]
4-{[(1R,2S)-2-(2-Fluorophényl)cyclopropyl]amino}-6,7-diméthoxy-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-{[(1R,2S)-2-(2-Fluorophenyl)cyclopropyl]amino}-6,7-dimethoxy-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-{[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
4-{[(1R,2S)-2-(2-Fluorphenyl)cyclopropyl]amino}-6,7-dimethoxy-3-chinolincarbonitril [German] [ACD/IUPAC Name]
4-((1R,2S)-2-(2-fluorophenyl)cyclopropylamino)-6,7-dimethoxyquinoline-3-carbonitrile
CHEMBL246419

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

Density: 1.3±0.1 g/cm3
Boiling Point: 546.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.4±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 99.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 354.42
ACD/KOC (pH 5.5): 2087.34
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 515.46
ACD/KOC (pH 7.4): 3035.82
Polar Surface Area: 67 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 61.0±5.0 dyne/cm
Molar Volume: 273.7±5.0 cm3

Click to predict properties on the Chemicalize site


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