ChemSpider 2D Image | 3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxybenzonitrile | C27H22F2N4O

3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxybenzonitrile

  • Molecular FormulaC27H22F2N4O
  • Average mass456.487 Da
  • Monoisotopic mass456.176178 Da
  • ChemSpider ID81367268

More details:

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

3-[4-(4-Amino-1-pipéridinyl)-3-(3,5-difluorophényl)-6-quinoléinyl]-2-hydroxybenzonitrile [French] [ACD/IUPAC Name]
3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxybenzonitrile [ACD/IUPAC Name]
3-[4-(4-Amino-1-piperidinyl)-3-(3,5-difluorphenyl)-6-chinolinyl]-2-hydroxybenzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 3-[4-(4-amino-1-piperidinyl)-3-(3,5-difluorophenyl)-6-quinolinyl]-2-hydroxy- [ACD/Index Name]
2172870-89-0 [RN]
3-[4-(4-aminopiperidin-1-yl)-3-(3,5-difluorophenyl)quinolin-6-yl]-2-hydroxybenzonitrile
Paltusotine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.0±3.0 kJ/mol
Flash Point: 341.1±31.5 °C
Index of Refraction: 1.711
Molar Refractivity: 126.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.85
Polar Surface Area: 86 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 323.3±5.0 cm3

Click to predict properties on the Chemicalize site


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