chempirical

Quinidine

C20H24N2O2CAS 56-54-2324.42 g/mol

Open in Covalent MOL file
NHONO
AlcoholAlkeneEtherTertiary amine

Properties

Molecular formula
C20H24N2O2
Molar mass
324.42 g/mol
Exact mass
324.1838 Da
Melting point
174 °C
pKa
8.05, 8.56 (25 °C), 10, 20
Water solubility
140 mg/L
logP
3.17Crippen estimate
Polar surface area
45.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
R, S, R, Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56-54-2
SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
InChIKey
LOUPRKONTZGTKE-LHHVKLHASA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • Cinchonan-9-ol, 6′-methoxy-, (9S)-
  • (9S)-6′-Methoxycinchonan-9-ol
  • Conquinine
  • Pitayine
  • β-Quinine
  • (+)-Quinidine
  • Conchinin
  • Chinidin
  • (8R,9S)-Quinidine
  • Pitayin
  • Cin-quin
  • Kinidin
  • Conchinine
  • β-Quinidine
  • Quindine

Work with Quinidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Quinine130-95-0Diastereomer Quinidine sulfate50-54-4Salt Quinine sulfate804-63-7Salt, diastereomer Quinine hydrochloride130-89-2Salt, diastereomer (-)-Quinine dihydrochloride60-93-5Salt, diastereomer Quinine bisulfate549-56-4Salt, diastereomer Quinine sulfate dihydrate6119-70-6Salt, diastereomer Quinine hydrochloride dihydrate6119-47-7Salt, diastereomer Quinidine sulfate dihydrate6591-63-5Salt

Similar compounds

Dihydroquinidine1435-55-873 % similar Dihydroquinine522-66-773 % similar Cinchonine118-10-571 % similar Cinchonidine485-71-271 % similar Cinchonine hydrochloride24302-67-868 % similar Cinchonidine sulfate524-61-863 % similar Cinchonine sulfate5949-16-663 % similar 1,4-Bis(dihydroquinidine)phthalazine140853-10-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook