ChemSpider 2D Image | (3E)-3-[4-(Dimethylamino)benzylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one | C20H19N3O

(3E)-3-[4-(Dimethylamino)benzylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one

  • Molecular FormulaC20H19N3O
  • Average mass317.384 Da
  • Monoisotopic mass317.152802 Da
  • ChemSpider ID24745226

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-[4-(Dimethylamino)benzyliden]-2,3-dihydropyrrolo[2,1-b]chinazolin-9(1H)-on [German] [ACD/IUPAC Name]
(3E)-3-[4-(Dimethylamino)benzylidene]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one [ACD/IUPAC Name]
(3E)-3-[4-(Diméthylamino)benzylidène]-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one [French] [ACD/IUPAC Name]
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[[4-(dimethylamino)phenyl]methylene]-2,3-dihydro-, (3E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 527.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.9±32.9 °C
Index of Refraction: 1.653
Molar Refractivity: 96.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 513.96
ACD/KOC (pH 5.5): 2885.26
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 612.25
ACD/KOC (pH 7.4): 3437.04
Polar Surface Area: 36 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 262.3±7.0 cm3

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