chempirical

Hydroxychloroquine

C18H26ClN3OCAS 118-42-3335.88 g/mol

Open in Covalent MOL file
NOHHNNCl
AlcoholAryl halideSecondary amineTertiary amine

Properties

Molecular formula
C18H26ClN3O
Molar mass
335.88 g/mol
Exact mass
335.1764 Da
Melting point
90 °C
logP
3.78Crippen estimate
Polar surface area
48.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
9

Identifiers

CAS number
118-42-3
SMILES
CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIKey
XXSMGPRMXLTPCZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)

Weigh it out

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

Names and synonyms

14 names · show all
  • Ethanol, 2-[[4-[(7-chloro-4-quinolinyl)amino]pentyl]ethylamino]-
  • Ethanol, 2-[[4-[(7-chloro-4-quinolyl)amino]pentyl]ethylamino]-
  • 2-[[4-[(7-Chloro-4-quinolinyl)amino]pentyl]ethylamino]ethanol
  • WIN 1258
  • 7-Chloro-4-[4-(N-ethyl-N-β-hydroxyethylamino)-1-methylbutylamino]quinoline
  • 7-Chloro-4-[4-[ethyl(2-hydroxyethyl)amino]-1-methylbutylamino]quinoline
  • 7-Chloro-4-[5-(N-ethyl-N-2-hydroxyethylamino)-2-pentyl]aminoquinoline
  • Oxychlorochin
  • Win 1258-2
  • Racemic hydroxychloroquine
  • (±)-Hydroxychloroquine
  • Oxichloroquine
  • Oxychloroquine
  • 2-([4-[(7-Chloroquinolin-4-yl)amino]pentyl](ethyl)amino)ethan-1-ol

Work with Hydroxychloroquine

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

Hydroxychloroquine sulfate747-36-487 % similar Chloroquine54-05-785 % similar Chloroquine sulfate132-73-076 % similar (±)-Chloroquine diphosphate50-63-576 % similar (±)-Desethylchloroquine1476-52-462 % similar Amodiaquine86-42-049 % similar Amodiaquine hydrochloride69-44-347 % similar Amodiaquine dihydrochloride dihydrate6398-98-745 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook