{4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}(ethyl)amine

• ChemBase ID: 174725
• Molecular Formular: C21H26ClN3O
• Molecular Mass: 371.90364
• Monoisotopic Mass: 371.17644015
• SMILES: c1(ccc2c(c1)c(c1c(n2)cc(cc1)Cl)NC(C)CCCNCC)OC
• Canonical SMILES: CCNCCCC(Nc1c2cc(OC)ccc2nc2c1ccc(c2)Cl)C
• InChI: InChI=1S/C21H26ClN3O/c1-4-23-11-5-6-14(2)24-21-17-9-7-15(22)12-20(17)25-19-10-8-16(26-3)13-18(19)21/h7-10,12-14,23H,4-6,11H2,1-3H3,(H,24,25)
• InChIKey: PLRMAPKCAIMEDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}(ethyl)amine
• IUPAC Traditional name: {4-[(6-chloro-2-methoxyacridin-9-yl)amino]pentyl}(ethyl)amine
• Synonyms: N4-(6-Chloro-2-methoxy-9-acridinyl)-N1-ethyl-1,4-pentanediamine; Monodesethyl Quinacrine, Dihydrochloride

Database IDs

• CAS Number: 908844-46-2
• PubChem SID: 164230635
• PubChem CID: 45039956

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.49535862
• LogD (pH = 7.4): 0.53867596
• Log P: 4.411681
• Molar Refractivity: 108.9211 cm^3
• Polarizability: 44.4466 Å^3
• Polar Surface Area: 46.18 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: Yellow Solid
• Melting Point: >200°C (dec.)

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - M538000

A metabolite of Quinacrine, an antimalarial compound.