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Search term: YXQAXOHICPANEH-XUZZJYLKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6,7-Dimethoxy-4-{[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino}-3-quinolinecarbonitrile | C27H23N3O3

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

  • Molecular FormulaC27H23N3O3
  • Average mass437.490 Da
  • Monoisotopic mass437.173950 Da
  • ChemSpider ID23307350

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 6,7-dimethoxy-4-[[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino]- [ACD/Index Name]
6,7-Dimethoxy-4-{[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6,7-Diméthoxy-4-{[(1R,2S)-2-(4-phénoxyphényl)cyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6,7-Dimethoxy-4-{[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6,7-dimethoxy-4-{[(1R,2S)-2-(4-phenoxyphenyl)cyclopropyl]amino}quinoline-3-carbonitrile
6,7-dimethoxy-4-((1R,2S)-2-(4-phenoxyphenyl)cyclopropylamino)quinoline-3-carbonitrile
CHEMBL245996

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 340.0±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3511.13
ACD/KOC (pH 5.5): 10776.34
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5106.57
ACD/KOC (pH 7.4): 15673.04
Polar Surface Area: 76 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 333.4±5.0 cm3

Click to predict properties on the Chemicalize site


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