ChemSpider 2D Image | 6-Chloro-9-isobutoxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinolin-4-one | C16H18ClN3O2

6-Chloro-9-isobutoxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinolin-4-one

  • Molecular FormulaC16H18ClN3O2
  • Average mass319.786 Da
  • Monoisotopic mass319.108765 Da
  • ChemSpider ID24808327

More details:

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

4H-Pyrazolo[3,4-b]quinolin-4-one, 6-chloro-1,9-dihydro-1,3-dimethyl-9-(2-methylpropoxy)- [ACD/Index Name]
6-Chlor-9-isobutoxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]chinolin-4-on [German] [ACD/IUPAC Name]
6-Chloro-9-isobutoxy-1,3-diméthyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinoléin-4-one [French] [ACD/IUPAC Name]
6-Chloro-9-isobutoxy-1,3-dimethyl-1,9-dihydro-4H-pyrazolo[3,4-b]quinolin-4-one [ACD/IUPAC Name]
Kinome_3651

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

Density: 1.3±0.1 g/cm3
Boiling Point: 469.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 238.0±31.5 °C
Index of Refraction: 1.631
Molar Refractivity: 85.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 243.82
ACD/KOC (pH 5.5): 1779.40
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 243.82
ACD/KOC (pH 7.4): 1779.41
Polar Surface Area: 47 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 240.6±7.0 cm3

Click to predict properties on the Chemicalize site


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