ChemSpider 2D Image | 1-(3-Aminobenzoyl)-6-chloropyrrolo[1,2-a]quinoline-3-carbonitrile | C20H12ClN3O

1-(3-Aminobenzoyl)-6-chloropyrrolo[1,2-a]quinoline-3-carbonitrile

  • Molecular FormulaC20H12ClN3O
  • Average mass345.782 Da
  • Monoisotopic mass345.066895 Da
  • ChemSpider ID24719890

More details:

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

1-(3-Aminobenzoyl)-6-chloropyrrolo[1,2-a]quinoléine-3-carbonitrile [French] [ACD/IUPAC Name]
1-(3-Aminobenzoyl)-6-chloropyrrolo[1,2-a]quinoline-3-carbonitrile [ACD/IUPAC Name]
1-(3-Aminobenzoyl)-6-chlorpyrrolo[1,2-a]chinolin-3-carbonitril [German] [ACD/IUPAC Name]
Pyrrolo[1,2-a]quinoline-3-carbonitrile, 1-(3-aminobenzoyl)-6-chloro- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL523402/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 442.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.9±3.0 kJ/mol
Flash Point: 221.1±28.7 °C
Index of Refraction: 1.706
Molar Refractivity: 97.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 725.33
ACD/KOC (pH 5.5): 3878.60
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 728.24
ACD/KOC (pH 7.4): 3894.12
Polar Surface Area: 71 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 251.4±7.0 cm3

Click to predict properties on the Chemicalize site


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