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Search term: Oc1ccccc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-{4-[(3S)-3-Pyrrolidinylamino]-2-quinazolinyl}phenol | C18H18N4O

2-{4-[(3S)-3-Pyrrolidinylamino]-2-quinazolinyl}phenol

  • Molecular FormulaC18H18N4O
  • Average mass306.362 Da
  • Monoisotopic mass306.148071 Da
  • ChemSpider ID25057063

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{4-[(3S)-3-Pyrrolidinylamino]-2-chinazolinyl}phenol [German] [ACD/IUPAC Name]
2-{4-[(3S)-3-Pyrrolidinylamino]-2-quinazolinyl}phenol [ACD/IUPAC Name]
2-{4-[(3S)-3-Pyrrolidinylamino]-2-quinazolinyl}phénol [French] [ACD/IUPAC Name]
2-{4-[(3s)-Pyrrolidin-3-Ylamino]quinazolin-2-Yl}phenol
Phenol, 2-[4-[(3S)-3-pyrrolidinylamino]-2-quinazolinyl]- [ACD/Index Name]
1146159-38-7 [RN]
B4W

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

Density: 1.3±0.1 g/cm3
Boiling Point: 451.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 226.6±28.7 °C
Index of Refraction: 1.711
Molar Refractivity: 91.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.51
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 70 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 234.0±3.0 cm3

Click to predict properties on the Chemicalize site


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