chempirical

(±)-Desethylchloroquine

C16H22ClN3CAS 1476-52-4291.82 g/mol

Open in Covalent MOL file
NHHNNCl
Aryl halideSecondary amine

Properties

Molecular formula
C16H22ClN3
Molar mass
291.82 g/mol
Exact mass
291.1502 Da
Melting point
100–102 °C
Boiling point
173–175 °C (at 0.05 Torr)
logP
4.08Crippen estimate
Polar surface area
37.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
7

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
1476-52-4
SMILES
CCNCCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIKey
MCYUUUTUAAGOOT-UHFFFAOYSA-N
InChI
InChI=1S/C16H22ClN3/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20)

Weigh it out

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

Names and synonyms

15 names · show all
  • 1,4-Pentanediamine, N4-(7-chloro-4-quinolinyl)-N1-ethyl-
  • Quinoline, 7-chloro-4-[[4-(ethylamino)-1-methylbutyl]amino]-
  • N4-(7-Chloro-4-quinolinyl)-N1-ethyl-1,4-pentanediamine
  • Chloroquine, deethyl-
  • Deethylchloroquine
  • N-Deethylchloroquine
  • 4-[[1-Methyl-4-((ethylamino)butyl]amino)]-7-chloroquinoline
  • Desethylchloroquine
  • WR 29623
  • Monodesethylchloroquine
  • 7-Chloro-4-(4-N-ethylamino-1-methylbutylamino)quinoline
  • Monodeethylchloroquine
  • NSC 13254
  • 1,4-Pentanediamine N4-(7-chloro-4-quinolinyl)-N1-ethyl-
  • (+-)-Desethylchloroquine

Work with (±)-Desethylchloroquine

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

Chloroquine54-05-769 % similar Hydroxychloroquine118-42-362 % similar Chloroquine sulfate132-73-059 % similar (±)-Chloroquine diphosphate50-63-559 % similar Hydroxychloroquine sulfate747-36-455 % similar 7-Chloro-4-hydrazinylquinoline23834-14-248 % similar Amodiaquine86-42-041 % similar Amodiaquine hydrochloride69-44-339 % similar

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

Same formula

Tripelennamine hydrochloride154-69-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook