ChemSpider 2D Image | 2-[(3R)-3-Amino-1-piperidinyl]-3-(2-chlorobenzyl)-5-methyl-7-phenyl-3,5-dihydro-4H-imidazo[4,5-c]quinolin-4-one | C29H28ClN5O

2-[(3R)-3-Amino-1-piperidinyl]-3-(2-chlorobenzyl)-5-methyl-7-phenyl-3,5-dihydro-4H-imidazo[4,5-c]quinolin-4-one

  • Molecular FormulaC29H28ClN5O
  • Average mass498.018 Da
  • Monoisotopic mass497.198242 Da
  • ChemSpider ID28652576

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[(3R)-3-Amino-1-piperidinyl]-3-(2-chlorbenzyl)-5-methyl-7-phenyl-3,5-dihydro-4H-imidazo[4,5-c]chinolin-4-on [German] [ACD/IUPAC Name]
2-[(3R)-3-Amino-1-pipéridinyl]-3-(2-chlorobenzyl)-5-méthyl-7-phényl-3,5-dihydro-4H-imidazo[4,5-c]quinoléin-4-one [French] [ACD/IUPAC Name]
2-[(3R)-3-Amino-1-piperidinyl]-3-(2-chlorobenzyl)-5-methyl-7-phenyl-3,5-dihydro-4H-imidazo[4,5-c]quinolin-4-one [ACD/IUPAC Name]
4H-Imidazo[4,5-c]quinolin-4-one, 2-[(3R)-3-amino-1-piperidinyl]-3-[(2-chlorophenyl)methyl]-3,5-dihydro-5-methyl-7-phenyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 766.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.4±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 143.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 6.20
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 7.97
ACD/KOC (pH 7.4): 32.64
Polar Surface Area: 67 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 367.4±7.0 cm3

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