ChemSpider 2D Image | 1-[(2S,4R)-4-Anilino-2-methyl-6-[4-(1-piperidinylmethyl)phenyl]-3,4-dihydro-1(2H)-quinolinyl]ethanone | C30H35N3O

1-[(2S,4R)-4-Anilino-2-methyl-6-[4-(1-piperidinylmethyl)phenyl]-3,4-dihydro-1(2H)-quinolinyl]ethanone

  • Molecular FormulaC30H35N3O
  • Average mass453.618 Da
  • Monoisotopic mass453.278015 Da
  • ChemSpider ID35035674

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(2s,4r)-2-Methyl-4-(Phenylamino)-6-[4-(Piperidin-1-Ylmethyl)phenyl]-3,4-Dihydroquinolin-1(2h)-Yl]ethanone
1-[(2S,4R)-4-Anilino-2-methyl-6-[4-(1-piperidinylmethyl)phenyl]-3,4-dihydro-1(2H)-chinolinyl]ethanon [German] [ACD/IUPAC Name]
1-[(2S,4R)-4-Anilino-2-méthyl-6-[4-(1-pipéridinylméthyl)phényl]-3,4-dihydro-1(2H)-quinoléinyl]éthanone [French] [ACD/IUPAC Name]
1-[(2S,4R)-4-Anilino-2-methyl-6-[4-(1-piperidinylmethyl)phenyl]-3,4-dihydro-1(2H)-quinolinyl]ethanone [ACD/IUPAC Name]
Ethanone, 1-[(2S,4R)-3,4-dihydro-2-methyl-4-(phenylamino)-6-[4-(1-piperidinylmethyl)phenyl]-1(2H)-quinolinyl]- [ACD/Index Name]
9S3
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3353992/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 352.5±31.5 °C
Index of Refraction: 1.623
Molar Refractivity: 139.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.66
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 10.64
ACD/KOC (pH 5.5): 27.21
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 235.65
ACD/KOC (pH 7.4): 602.80
Polar Surface Area: 36 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 49.8±3.0 dyne/cm
Molar Volume: 395.2±3.0 cm3

Click to predict properties on the Chemicalize site


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