Chemical Properties of Quinidine (CAS 56-54-2)

Quinidine

InChI
InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13?,14?,19?,20-/m1/s1
InChI Key
LOUPRKONTZGTKE-WGFDLZGGSA-N
Formula
C20H24N2O2
SMILES
C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12
Molecular Weight1
324.42
CAS
56-54-2
Other Names
  • (+)-Quindine
  • (+)-Quinidine
  • (8R,9S)-6'-Methoxycinchonan-9-ol
  • (8R,9S)-Quinidine
  • (9S)-6'-Methoxycinchonan-9-ol
  • 2-Quinuclidinemethanol, «alpha»-(6-methoxy-4-quinolyl)-5-vinyl-
  • 6'-Methoxycinchonan-9-ol, (8R,9S)-
  • 6-Methoxy-«alpha»-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol
  • Chinidin
  • Cin-quin
  • Cinchonan-9-ol, 6'-methoxy-, (9S)-
  • Conchinin
  • Conchinine
  • Conquinine
  • Kinidin
  • NCI-C56246
  • Pitayin
  • Pitayine
  • Quindine
  • Quinine
  • «alpha»-(6-Methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol
  • «beta»-Quinidine
  • «beta»-Quinine
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Physical Properties

Property Value Unit Source
ΔcH°solid [-11145.00; -11140.00] kJ/mol Show Hide
ΔcH°solid -11145.00 kJ/mol NIST
ΔcH°solid -11140.00 kJ/mol NIST
log10WS -2.77 Aq. Solubility Prediction
logPoct/wat 3.173 Crippen Calculated Property
McVol 255.120 ml/mol McGowan Calculated Property
Inp [2745.00; 2815.00]   Show Hide
Inp 2805.00 NIST
Inp 2807.00 NIST
Inp 2797.00 NIST
Inp Outlier 2745.00 NIST
Inp 2795.00 NIST
Inp 2798.00 NIST
Inp Outlier 2750.00 NIST
Inp 2815.00 NIST
Inp 2794.00 NIST
Inp 2794.00 NIST
Inp 2807.00 NIST
Inp 2784.00 NIST
Inp 2807.00 NIST
Tfus 445.98 K Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Quinine. DIHYDROERGOTAMINE. Dehydrojaconine. Benzylmorphine. OXYCOLCHICINE. Ajmaline. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Nicocodine. ERGOCRYPTINE. N6-(cyclotetramethylene-tertbutylsilyl)-Adenosine, 2',3',5'-tris-O-TBDMS. Hydromorphone, trimethylsilyl ether. Galantamin. Deserpidine. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). BUPRENORPHINE.

Find more compounds similar to Quinidine.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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