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Predicted properties of the compound entered.

ID QJYVSAYVZYKUJL-LGWHJFRWSA-N
Formula C20H26N2O3
IUPAC Name (1S,3S,4S,6R)-3-ethyl-6-[(S)-hydroxy(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C20H26N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h4-6,8,11,13,18-19,23-24H,3,7,9-10,12H2,1-2H3/t13-,18+,19-,20+/m0/s1
Standard InChIKey (User Input) InChIKey=QJYVSAYVZYKUJL-LGWHJFRWSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers (4S,5S,7R)-5-ethyl-7-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol | (3S,4S,6R)-3-ethyl-6-[(S)-hydroxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-ol | (3S,4S,6R)-3-ethyl-6-[(S)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-quinuclidinol | 85405-59-0 | Hydroxy-3S dihydro-10,11 quinidine [French] | 3-Hydroxyhydroquinidine | Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, (9S)-
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Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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13C NMR prediction -
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