ChemSpider 2D Image | 7-Chloro-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-methylquinoline | C20H21ClN4

7-Chloro-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-methylquinoline

  • Molecular FormulaC20H21ClN4
  • Average mass352.861 Da
  • Monoisotopic mass352.145477 Da
  • ChemSpider ID29641678

More details:

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

7-Chlor-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-methylchinolin [German] [ACD/IUPAC Name]
7-Chloro-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-méthylquinoléine [French] [ACD/IUPAC Name]
7-Chloro-2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-4-methylquinoline [ACD/IUPAC Name]
Quinoline, 7-chloro-2-[5,7-dihydro-2-(2-methylpropyl)-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-4-methyl- [ACD/Index 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: 540.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.9±30.1 °C
Index of Refraction: 1.647
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 5.20
ACD/BCF (pH 5.5): 5262.15
ACD/KOC (pH 5.5): 16024.23
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5280.02
ACD/KOC (pH 7.4): 16078.67
Polar Surface Area: 42 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 57.4±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

Click to predict properties on the Chemicalize site


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