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Search term: IPDLNCUZTMJSII-MAUKXSAKSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | 4-{[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]amino}-6,7-dimethoxy-3-quinolinecarbonitrile | C21H18ClN3O2

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

  • Molecular FormulaC21H18ClN3O2
  • Average mass379.840 Da
  • Monoisotopic mass379.108765 Da
  • ChemSpider ID23307345
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-Quinolinecarbonitrile, 4-[[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]amino]-6,7-dimethoxy- [ACD/Index Name]
4-{[(1R,2S)-2-(4-Chlorophényl)cyclopropyl]amino}-6,7-diméthoxy-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
4-{[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]amino}-6,7-dimethoxy-3-quinolinecarbonitrile [ACD/IUPAC Name]
4-{[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]amino}-6,7-dimethoxyquinoline-3-carbonitrile
4-{[(1R,2S)-2-(4-Chlorphenyl)cyclopropyl]amino}-6,7-dimethoxy-3-chinolincarbonitril [German] [ACD/IUPAC Name]
6,7-diethyl-2-ethynyl-1-(((1S,2R)-2-p-tolylcyclopropyl)methyl)naphthalene
CHEMBL247196

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.7±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 975.33
ACD/KOC (pH 5.5): 4308.04
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1418.51
ACD/KOC (pH 7.4): 6265.58
Polar Surface Area: 67 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 64.8±5.0 dyne/cm
Molar Volume: 280.1±5.0 cm3

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