chempirical

Amodiaquine

C20H22ClN3OCAS 86-42-0355.87 g/mol

Open in Covalent MOL file
NHNNClOH
Aryl halidePhenolSecondary amineTertiary amine

Properties

Molecular formula
C20H22ClN3O
Molar mass
355.87 g/mol
Exact mass
355.1451 Da
Melting point
208 °C (decomposes)
logP
5.18Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
86-42-0
SMILES
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
InChIKey
OVCDSSHSILBFBN-UHFFFAOYSA-N
InChI
InChI=1S/C20H22ClN3O/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)

Weigh it out

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

Names and synonyms

18 names · show all
  • Phenol, 4-[(7-chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]-
  • o-Cresol, 4-[(7-chloro-4-quinolyl)amino]-α-(diethylamino)-
  • 4-[(7-Chloro-4-quinolinyl)amino]-2-[(diethylamino)methyl]phenol
  • Amodiaquin
  • CAM-AQ 1
  • Camoquin
  • Camoquinal
  • 7-Chloro-4-(3-diethylaminomethyl-4-hydroxyanilino)quinoline
  • Flavoquine
  • Miaquin
  • Quinoline, 7-chloro-4-[[3-[(diethylamino)methyl]-4-hydroxyphenyl]amino]-
  • SN 10,751
  • CAM-AQI
  • Camochin
  • Camoquine
  • SN 10751
  • NSC 13453
  • Sunoquine

Work with Amodiaquine

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.

Amodiaquine hydrochloride69-44-3Salt Amodiaquine dihydrochloride dihydrate6398-98-7Salt

Similar compounds

Chloroquine54-05-752 % similar Hydroxychloroquine118-42-349 % similar Chloroquine sulfate132-73-047 % similar (±)-Chloroquine diphosphate50-63-547 % similar 7-Chloro-4-hydrazinylquinoline23834-14-244 % similar Hydroxychloroquine sulfate747-36-444 % similar (±)-Desethylchloroquine1476-52-441 % similar 4,7-Dichloroquinoline86-98-639 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook