ChemSpider 2D Image | 3-farnesyl-3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one | C25H33NO3

3-farnesyl-3-hydroxy-2-methyl-1-oxo-1λ(5)-quinolin-4-one

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID58164112

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Oxyde de 3-hydroxy-2-méthyl-3-[(2E,6E)-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-4(3H)-quinoléinone [French] [ACD/IUPAC Name]
3-farnesyl-3-hydroxy-2-methyl-1-oxo-1λ(5)-quinolin-4-one
3-Hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4(3H)-chinolinon-1-oxid [German] [ACD/IUPAC Name]
3-Hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-4(3H)-quinolinone 1-oxide [ACD/IUPAC Name]
4(3H)-Quinolinone, 3-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-, 1-oxide [ACD/Index Name]
[(2E,6E)-farnesyl]-3-hydroxy-2-methyl-1-oxo-1λ(5)-quinolin-4-one
2-hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one
3-hydroxy-2-methyl-1-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1λ(5)-quinolin-4(3H)-one
4-hydroxy-2-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4H)-one 1-oxide
  • Miscellaneous

    • Chemical Class:

      A member of the class of quinoline <element>N</element>-oxides that is 3-hydroxy-2-methyl-1-oxo-1<greek>lambda</greek><smallsup>5</smallsup>-quinolin-4-one carrying an additional (2<stereo>E</stereo>, 6<stereo>E</stereo>)-farnesyl group at position 3. ChEBI CHEBI:90890
      A member of the class of quinoline N-oxides that is 3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one carrying an additional (2E,6E)-farnesyl group at position 3. ChEBI CHEBI:90890
      A member of the class of quinoline N-oxides that is 3-hydroxy-2-methyl-1-oxo-1lambda5-quinolin-4-one carrying an additional (2E,; 6E)-farnesyl group at position 3. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90890

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

Density: 1.1±0.1 g/cm3
Boiling Point: 554.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 209.6±21.3 °C
Index of Refraction: 1.568
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 52282.76
ACD/KOC (pH 5.5): 82978.82
ACD/LogD (pH 7.4): 6.51
ACD/BCF (pH 7.4): 51772.36
ACD/KOC (pH 7.4): 82168.76
Polar Surface Area: 66 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 363.1±5.0 cm3

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