ChemSpider 2D Image | 2-[2-(2-Oxopropyl)-5-(2-quinolinylmethoxy)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethanimidic acid | C22H20N4O3

2-[2-(2-Oxopropyl)-5-(2-quinolinylmethoxy)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethanimidic acid

  • Molecular FormulaC22H20N4O3
  • Average mass388.419 Da
  • Monoisotopic mass388.153534 Da
  • ChemSpider ID57642141

More details:

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

1H-Pyrrolo[2,3-b]pyridine-1-ethanimidic acid, 2-(2-oxopropyl)-5-(2-quinolinylmethoxy)- [ACD/Index Name]
2-[2-(2-Oxopropyl)-5-(2-quinolinylmethoxy)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethanimidic acid [ACD/IUPAC Name]
2-[5-(2-Chinolinylmethoxy)-2-(2-oxopropyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethanimidsäure [German] [ACD/IUPAC Name]
Acide 2-[2-(2-oxopropyl)-5-(2-quinoléinylméthoxy)-1H-pyrrolo[2,3-b]pyridin-1-yl]éthanimidique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 335.2±34.3 °C
Index of Refraction: 1.673
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.07
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.08
Polar Surface Area: 101 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 289.7±7.0 cm3

Click to predict properties on the Chemicalize site


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