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Search term: HUVCXVMEQIZCIY-FXAWDEMLSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 6-Methoxy-7-(2-methoxyethoxy)-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C23H23N3O3

6-Methoxy-7-(2-methoxyethoxy)-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile

  • Molecular FormulaC23H23N3O3
  • Average mass389.447 Da
  • Monoisotopic mass389.173950 Da
  • ChemSpider ID23307334
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Quinolinecarbonitrile, 6-methoxy-7-(2-methoxyethoxy)-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
6-Methoxy-7-(2-methoxyethoxy)-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-7-(2-méthoxyéthoxy)-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-7-(2-methoxyethoxy)-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-methoxy-7-(2-methoxyethoxy)-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-methoxy-7-(2-methoxyethoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL401251

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.3±31.5 °C
Index of Refraction: 1.638
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 458.27
ACD/KOC (pH 5.5): 2595.73
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 592.53
ACD/KOC (pH 7.4): 3356.20
Polar Surface Area: 76 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 307.6±5.0 cm3

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