ChemSpider 2D Image | (2Z)-3-(3-Methylphenyl)-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile | C18H13N3O

(2Z)-3-(3-Methylphenyl)-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile

  • Molecular FormulaC18H13N3O
  • Average mass287.315 Da
  • Monoisotopic mass287.105865 Da
  • ChemSpider ID32236351

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3-Methylphenyl)-2-(4-oxo-1,4-dihydro-2-chinazolinyl)acrylonitril [German] [ACD/IUPAC Name]
(2Z)-3-(3-Methylphenyl)-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile [ACD/IUPAC Name]
(2Z)-3-(3-Méthylphényl)-2-(4-oxo-1,4-dihydro-2-quinazolinyl)acrylonitrile [French] [ACD/IUPAC Name]
2-Quinazolineacetonitrile, 3,4-dihydro-α-[(3-methylphenyl)methylene]-4-oxo-, (αZ)- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 86.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.26
ACD/KOC (pH 5.5): 1573.06
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.88
ACD/KOC (pH 7.4): 1554.78
Polar Surface Area: 65 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 47.9±7.0 dyne/cm
Molar Volume: 239.4±7.0 cm3

Click to predict properties on the Chemicalize site


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