ChemSpider 2D Image | 8-Acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-3-quinolinecarbonitrile | C22H16ClFN6O

8-Acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-3-quinolinecarbonitrile

  • Molecular FormulaC22H16ClFN6O
  • Average mass434.853 Da
  • Monoisotopic mass434.105804 Da
  • ChemSpider ID23288998

More details:

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

3-Quinolinecarbonitrile, 8-acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]- [ACD/Index Name]
8-Acetyl-4-[(3-chlor-4-fluorphenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-3-chinolincarbonitril [German] [ACD/IUPAC Name]
8-Acétyl-4-[(3-chloro-4-fluorophényl)amino]-6-[(1H-imidazol-4-ylméthyl)amino]-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
8-Acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]-3-quinolinecarbonitrile [ACD/IUPAC Name]
8-acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-4-ylmethyl)amino]quinoline-3-carbonitrile
8-acetyl-4-[(3-chloro-4-fluorophenyl)amino]-6-[(1H-imidazol-5-ylmethyl)amino]quinoline-3-carbonitrile
Cyanoquinoline, 19
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL397949/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 718.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 388.4±32.9 °C
Index of Refraction: 1.705
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 55.24
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 171.93
ACD/KOC (pH 7.4): 1249.02
Polar Surface Area: 106 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 80.4±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

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