chempirical

Chloroquine

C18H26ClN3CAS 54-05-7319.88 g/mol

Open in Covalent MOL file
NHNNCl
Aryl halideSecondary amineTertiary amine

Properties

Molecular formula
C18H26ClN3
Molar mass
319.88 g/mol
Exact mass
319.1815 Da
Melting point
87–92 °C
Boiling point
212–214 °C (at 0.2 Torr)
logP
4.81Crippen estimate
Polar surface area
28.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
8

Identifiers

CAS number
54-05-7
SMILES
CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIKey
WHTVZRBIWZFKQO-UHFFFAOYSA-N
InChI
InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21)

Weigh it out

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

Names and synonyms

26 names · show all
  • 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-
  • Quinoline, 7-chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-
  • N4-(7-Chloro-4-quinolinyl)-N1,N1-diethyl-1,4-pentanediamine
  • Aralen
  • Chloraquine
  • 7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]quinoline
  • Artrichin
  • Bipiquin
  • Reumachlor
  • Chlorochin
  • Ronaquine
  • ST 121
  • ST 121 (pharmaceutical)
  • (±)-Chloroquine
  • RP 3377
  • Capquin
  • NSC 187208
  • Cloquin
  • Nivaquinp
  • E-Vivax
  • Hcqs
  • Premoquine
  • Maliago
  • Chlorolex
  • Rosq
  • 1,4-Pentanediamine N4-(7-chloro-4-quinolinyl)-N1,N1-diethyl-

Work with Chloroquine

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

Hydroxychloroquine118-42-385 % similar Chloroquine sulfate132-73-084 % similar (±)-Chloroquine diphosphate50-63-584 % similar Hydroxychloroquine sulfate747-36-474 % similar (±)-Desethylchloroquine1476-52-469 % similar Amodiaquine86-42-052 % similar Amodiaquine hydrochloride69-44-349 % similar Amodiaquine dihydrochloride dihydrate6398-98-747 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook