ChemSpider 2D Image | 2-({2-[(3R)-3-Amino-1-piperidinyl]-4-oxo-3(4H)-quinazolinyl}methyl)benzonitrile | C21H21N5O

2-({2-[(3R)-3-Amino-1-piperidinyl]-4-oxo-3(4H)-quinazolinyl}methyl)benzonitrile

  • Molecular FormulaC21H21N5O
  • Average mass359.424 Da
  • Monoisotopic mass359.174622 Da
  • ChemSpider ID23283097

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({2-[(3R)-3-Amino-1-piperidinyl]-4-oxo-3(4H)-chinazolinyl}methyl)benzonitril [German] [ACD/IUPAC Name]
2-({2-[(3R)-3-Amino-1-piperidinyl]-4-oxo-3(4H)-quinazolinyl}methyl)benzonitrile [ACD/IUPAC Name]
2-({2-[(3R)-3-Amino-1-pipéridinyl]-4-oxo-3(4H)-quinazolinyl}méthyl)benzonitrile [French] [ACD/IUPAC Name]
2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3(4H)-yl}methyl)benzonitrile
Benzonitrile, 2-[[2-[(3R)-3-amino-1-piperidinyl]-4-oxo-3(4H)-quinazolinyl]methyl]- [ACD/Index Name]
(R)-2-((2-(3-aminopiperidin-1-yl)-4-oxoquinazolin-3(4H)-yl)methyl)benzonitrile
2-((2-(3-aminopiperidin-1-yl)-4-oxoquinazolin-3(4H)-yl)methyl)benzonitrile
2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxo-3,4-dihydroquinazolin-3-yl}methyl)benzonitrile
2-({2-[(3R)-3-aminopiperidin-1-yl]-4-oxoquinazolin-3-yl}methyl)benzonitrile
2-[[2-[(3R)-3-AMINO-1-PIPERIDINYL]-4-OXO-3(4H)-QUINAZOLINYL]METHYL]BENZONITRILE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 571.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 299.2±32.9 °C
Index of Refraction: 1.692
Molar Refractivity: 104.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.89
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 86 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 273.6±7.0 cm3

Click to predict properties on the Chemicalize site


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