ChemSpider 2D Image | 2-[5-Methoxy-2-(3-quinolinyl)-4-pyrimidinyl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | C21H17N5O2

2-[5-Methoxy-2-(3-quinolinyl)-4-pyrimidinyl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one

  • Molecular FormulaC21H17N5O2
  • Average mass371.392 Da
  • Monoisotopic mass371.138214 Da
  • ChemSpider ID28645856

More details:

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

2-[2-(3-Chinolinyl)-5-methoxy-4-pyrimidinyl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-on [German] [ACD/IUPAC Name]
2-[5-Méthoxy-2-(3-quinoléinyl)-4-pyrimidinyl]-1,5,6,7-tétrahydro-4H-pyrrolo[3,2-c]pyridin-4-one [French] [ACD/IUPAC Name]
2-[5-Methoxy-2-(3-quinolinyl)-4-pyrimidinyl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one [ACD/IUPAC Name]
2-[5-Methoxy-2-(Quinolin-3-Yl)pyrimidin-4-Yl]-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One
4H-Pyrrolo[3,2-c]pyridin-4-one, 1,5,6,7-tetrahydro-2-[5-methoxy-2-(3-quinolinyl)-4-pyrimidinyl]- [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: 647.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.2±31.5 °C
Index of Refraction: 1.682
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.38
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 17.03
ACD/KOC (pH 5.5): 264.71
ACD/LogD (pH 7.4): 1.92
ACD/BCF (pH 7.4): 17.04
ACD/KOC (pH 7.4): 264.90
Polar Surface Area: 93 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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