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Search term: RBMOLIOJAWRTIV-OAHLLOKOSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-{[(1S)-1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino}-8-quinazolinecarboxamide | C18H18FN5O

4-{[(1S)-1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino}-8-quinazolinecarboxamide

  • Molecular FormulaC18H18FN5O
  • Average mass339.367 Da
  • Monoisotopic mass339.149536 Da
  • ChemSpider ID58886325

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(1S)-1-(3-Fluorophenyl)-2-(methylamino)ethyl]amino}-8-quinazolinecarboxamide [ACD/IUPAC Name]
4-{[(1S)-1-(3-Fluorophényl)-2-(méthylamino)éthyl]amino}-8-quinazolinecarboxamide [French] [ACD/IUPAC Name]
4-{[(1S)-1-(3-Fluorphenyl)-2-(methylamino)ethyl]amino}-8-chinazolincarboxamid [German] [ACD/IUPAC Name]
8-Quinazolinecarboxamide, 4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]- [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: 595.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.2±30.1 °C
Index of Refraction: 1.676
Molar Refractivity: 96.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -1.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.87
Polar Surface Area: 93 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

Click to predict properties on the Chemicalize site


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