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Molecule record

Quinine

C20H24N2O2

324.40 g/mol

2D structure for Quinine

Molecular properties

Formula
C20H24N2O2
Molar mass
324.40 g·mol−1
Exact mass
324.1838 Da
10
1
4
45.60 Ų
2.9 (PubChem computed XLogP3-AA descriptor)
CAS
130-95-0
PubChem CID
3034034

Interactions

Polarity
Often polar; exact polarity depends on size, substitution, and ionization state.
Acid-base behavior
Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
Intermolecular forces
Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.

Functional groups

Alkene
Amine
Aromatic ring
Ether
Phenol

Physical properties

PropertyValueConditionsSource
Logp2.9PubChem computed XLogP3-AA descriptorPubChem(link only)

Common names and synonyms

  • (-)-Quinine
  • (8-alpha,9R)-6'-Methoxycinchonan-9-ol
  • (8S,9R)-6'-Methoxycinchonan-9-ol
  • (8S,9R)-Quinine
  • (R)-(-)-Quinine, 6-methoxycinchonidine
  • (R)-(-)-quinine
  • (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
  • 130-95-0
Show all 22 synonyms
  • 6'-Methoxycinchonidine
  • 6-Methoxycinchonine
  • A7V27PHC7A
  • CHEBI:15854
  • Chinin
  • Chinine
  • Chininum purum
  • DTXCID60819897
  • DTXSID0044280
  • NSC-192949
  • Rezquin
  • WR297608
  • chininum
  • quinina

Structure identifiers

Canonical SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
Isomeric SMILES
COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
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+/m0/s1
InChIKey
LOUPRKONTZGTKE-WZBLMQSHSA-N
PubChem CID
3034034

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

IR spectrum

ChemArche Original Educational Content(redistributable)

Simulated FTIR trace

Predicted FTIR / %T

4 cm-1 resolution / deterministic instrument profile

Hover for cursor
4000350030002500200015001000500100500wavenumber (cm−1)transmittance (%)

Peak assignments

3350 cm−1broad O-H (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
1100 cm−1C-O ether (simulated)
2960 cm−1sp3 C-H (simulated)

Simulated NMR

On-demand educational prediction for Quinine; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for Quinine; not experimental data.

Sources

Molecule identity

Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

simulated IR

ChemForge original educational simulation.

ChemArche Original Educational Content(redistributable)
Open source record