chempirical

Amodiaquine hydrochloride

C20H24Cl3N3OCAS 69-44-3428.78 g/mol

Open in Covalent MOL file
NHNNClOHHClHCl
Aryl halidePhenolSecondary amineTertiary amine

Properties

Molecular formula
C20H24Cl3N3O
Molar mass
428.78 g/mol
Exact mass
427.0985 Da
logP
6.02Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Identifiers

CAS number
69-44-3
SMILES
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.Cl.Cl
InChIKey
ROEBJVHPINPMKL-UHFFFAOYSA-N
InChI
InChI=1S/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H

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Names and synonyms

9 names
  • Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, hydrochloride (1:2)
  • o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-α-(diethylamino)-, dihydrochloride
  • Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-, dihydrochloride
  • Amodiaquine dihydrochloride
  • Camoquin hydrochloride
  • 7-Chloro-4-(3′-diethylaminomethyl-4′-hydroxyanilino)quinoline dihydrochloride
  • 4-(7-Chloro-4-quinolylamino)-α-(diethylamino)-o-cresol dihydrochloride
  • Amodiaquin dihydrochloride
  • Basoquine

Work with Amodiaquine hydrochloride

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

Similar compounds

Amodiaquine dihydrochloride dihydrate6398-98-795 % similar Amodiaquine86-42-094 % similar Chloroquine54-05-749 % similar Hydroxychloroquine118-42-347 % similar Chloroquine sulfate132-73-045 % similar (±)-Chloroquine diphosphate50-63-545 % similar Hydroxychloroquine sulfate747-36-443 % similar 7-Chloro-4-hydrazinylquinoline23834-14-242 % similar

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

Elsewhere

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