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Search term: DIVLZGMOXGKIOU-QFBILLFUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile | C20H17N3O

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

  • Molecular FormulaC20H17N3O
  • Average mass315.368 Da
  • Monoisotopic mass315.137177 Da
  • ChemSpider ID23307328

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Quinolinecarbonitrile, 6-methoxy-4-[[(1R,2S)-2-phenylcyclopropyl]amino]- [ACD/Index Name]
6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6-Méthoxy-4-{[(1R,2S)-2-phénylcyclopropyl]amino}-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
6-Methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}-3-quinolinecarbonitrile [ACD/IUPAC Name]
6-methoxy-4-{[(1R,2S)-2-phenylcyclopropyl]amino}quinoline-3-carbonitrile
6-methoxy-4-((1R,2S)-2-phenylcyclopropylamino)quinoline-3-carbonitrile
CHEMBL401644
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401644/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 548.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.8±3.0 kJ/mol
Flash Point: 285.5±30.1 °C
Index of Refraction: 1.677
Molar Refractivity: 93.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 442.50
ACD/KOC (pH 5.5): 2587.93
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 530.05
ACD/KOC (pH 7.4): 3099.98
Polar Surface Area: 58 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 247.5±5.0 cm3

Click to predict properties on the Chemicalize site


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