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Search term: NHWFEYYJOLZGNB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C27H30N4O3

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

  • Molecular FormulaC27H30N4O3
  • Average mass458.552 Da
  • Monoisotopic mass458.231781 Da
  • ChemSpider ID23307335

  • 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-[3-(4-morpholinyl)propoxy]-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-7-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-methoxy-7-[3-(morpholin-4-yl)propoxy]-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-methoxy-7-(3-morpholinopropoxy)-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL248392

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

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): 7.43
ACD/KOC (pH 5.5): 49.90
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 229.49
ACD/KOC (pH 7.4): 1542.15
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


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