Molecular Identity
Amodiaquine
4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
PubChem CID: 2165
Amodiaquine is a quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. It has a role as an EC 2.1.1.8 (histamine N-methyltransferase) inhibitor, an anticoronaviral agent, a non-steroidal anti-inflammatory drug, an antimalarial, a prodrug and a drug allergen. It is a member of phenols, an organochlorine compound, an aminoquinoline, a secondary amino compound and a tertiary amino compound. It is a conjugate base of an amodiaquine(1+).
2D Structure
Properties
C20H22ClN3O
Molecular Formula
355.90
Molecular Weight
g/mol
355.1451
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
48.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
4
H-Bond Acceptors
406
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)OIsomeric SMILES
SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)OSynonyms(20)
amodiaquine86-42-0AmodiaquinFlavoquineCamoquinCamochinCamoquinalMiaquinAmodiachinumAmodiaquinaAmodiaquinumSunoquineAmodiachin4-((7-Chloroquinolin-4-yl)amino)-2-((diethylamino)methyl)phenol4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-2-[(DIETHYLAMINO)METHYL]PHENOL
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Amodiaquine
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