Found 1 result

Search term: YAOFOVYWIFNOKW-XUZZJYLKSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C27H30N4O3

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

  • Molecular FormulaC27H30N4O3
  • Average mass458.552 Da
  • Monoisotopic mass458.231781 Da
  • ChemSpider ID23307331
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Quinolinecarbonitrile, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
7-Méthoxy-6-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
7-Methoxy-6-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
7-methoxy-6-[3-(morpholin-4-yl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
7-methoxy-6-(3-morpholinopropoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL248221

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.2±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 7.54
ACD/KOC (pH 5.5): 50.67
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 234.04
ACD/KOC (pH 7.4): 1572.70
Polar Surface Area: 80 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 63.6±5.0 dyne/cm
Molar Volume: 359.5±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement