Molecular Identity
Chloroquine
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID: 2719
Chloroquine is an aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. It has a role as an anticoronaviral agent, an antirheumatic drug, an antimalarial, a dermatologic drug and an autophagy inhibitor. It is an organochlorine compound, an aminoquinoline, a secondary amino compound and a tertiary amino compound. It is a conjugate base of a chloroquine(2+).
2D Structure
Properties
C18H26ClN3
Molecular Formula
319.90
Molecular Weight
g/mol
319.1815
Exact Mass
Da
4.6
XLogP
Drug-like (Lipinski: < 5)
28.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
309
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)ClIsomeric SMILES
SMILES: CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)ClSynonyms(20)
chloroquine54-05-7AralenChloraquineChlorochinArtrichinChloroquinaReumachlorChloroquiniumCapquinChlorquinArthrochinBipiquinClorochinaGontochin
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Chloroquine
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