ChemSpider 2D Image | MFCD03939036 | C22H17N3O

MFCD03939036

  • Molecular FormulaC22H17N3O
  • Average mass339.390 Da
  • Monoisotopic mass339.137177 Da
  • ChemSpider ID22902756

  • Double-bond stereo - Double-bond stereo

More details:

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

1897-89-8 [RN]
3-(2-methylphenyl)-2-[(Z)-2-(2-pyridinyl)ethenyl]-4(3H)-quinazolinone
3-(2-Methylphenyl)-2-[(Z)-2-(2-pyridinyl)vinyl]-4(3H)-chinazolinon [German] [ACD/IUPAC Name]
3-(2-Methylphenyl)-2-[(Z)-2-(2-pyridinyl)vinyl]-4(3H)-quinazolinone [ACD/IUPAC Name]
3-(2-Méthylphényl)-2-[(Z)-2-(2-pyridinyl)vinyl]-4(3H)-quinazolinone [French] [ACD/IUPAC Name]
4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-[(Z)-2-(2-pyridinyl)ethenyl]- [ACD/Index Name]
MFCD03939036
2-[2-(2-Pyridyl)vinyl]-3-o-tolyl-4(3H)-quinazolinone
2-PICOLINYLIDENEMETHYL-3-ORTHO-TOLYL-4(3H)-QUINAZOLINONE
3-(2-methylphenyl)-2-[(Z)-2-pyridin-2-ylethenyl]quinazolin-4-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 531.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 275.0±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 104.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 426.71
ACD/KOC (pH 5.5): 2605.50
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 456.22
ACD/KOC (pH 7.4): 2785.70
Polar Surface Area: 46 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 289.2±7.0 cm3

Click to predict properties on the Chemicalize site


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