Molecular Identity
(+-)-Quinacrine
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID: 237
Quinacrine is a member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at position 9. It has a role as an antimalarial and an EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor. It is a member of acridines, an aromatic ether, an organochlorine compound and a tertiary amino compound. It derives from a hydride of an acridine.
2D Structure
Properties
C23H30ClN3O
Molecular Formula
400.00
Molecular Weight
g/mol
399.2077
Exact Mass
Da
6
XLogP
Above Lipinski threshold
37.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
461
Complexity
SMILES
Canonical SMILES
SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OCIsomeric SMILES
SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OCSynonyms(20)
quinacrinemepacrine83-89-6atabrineAcrinamineAcriquineAntimalarinaAkrichinHaffkinineErionItalchineQuinactineMepacrinaMepacrinum6-Chloro-9-((4-(diethylamino)-1-methylbutyl)amino)-2-methoxyacridine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to (+-)-Quinacrine
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