CAS 69-05-6|Erion|Chemiochin|quinacrine dihydrate dihydrochloride|Mecryl|{4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}diethylamine dihydrate dihydrochloride|Atabrine dihydrochloride|Acrichine|Ma...

General Information

Structure

Molecular Formula

C₂₃H₃₆Cl₃N₃O₃

Molecular Mass

508.90924

Exact Mass

507.18222507

Charge

InChI

InChI=1S/C23H30ClN3O.2ClH.2H2O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23;;;;/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26);2*1H;2*1H2

InChIKey

RZFNKJVCPDLQQA-UHFFFAOYSA-N

Canonic Smiles

CCN(CCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C)CC.O.O.Cl.Cl

Isomeric Smiles

O.O.Cl.Cl.CCN(CC)CCCC(C)Nc1c2cc(OC)ccc2nc2cc(Cl)ccc12

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-3.9949434E-4

LogD (pH = 7.4)

1.3863823

Log P

5.151537

Molar Refractivity

118.9644

Polarizability

48.14002

Polar Surface Area

37.39

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

quinacrine dihydrate dihydrochloride

Synonyms

ChemiochinErionAtabrine dihydrochlorideAcrichineMepacrine dihydrochlorideMalaricidaMecrylMethoquineQUINACRINE6-Chloro-9-((4-(diethylamino)-1-methylbutyl) amino)-2-methoxyacridine dihydrochlorideN4-(6-chloro-2-methoxyacridin-9-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride dihydrate

IUPAC name

{4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}diethylamine dihydrate dihydrochloride

Names and Identifiers

Registration numbers

CAS Number

EC Number

PubChem SID

PubChem CID