9-(o-(8-(4-Quinolinylamino)octyloxy)anilino)acridine dihydrochloride

HCID 48013

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Basic information

CAS: 66725-03-9
Standard SMILES: [Cl-].[Cl-].c1ccc(OCCCCCCCC[NH2+]c2ccnc3ccccc23)c([NH2+]c2c3ccccc3nc3ccccc23)c1
InChIKey: VRZJJSMFDAJTBG-UHFFFAOYSA-N
Molecular formula: C36H38Cl2N4O
Average molar mass: 613.6 g/mol
Monoisotopic mass: 612.2422672

Names & identifiers

Preferred name: 9-(o-(8-(4-Quinolinylamino)octyloxy)anilino)acridine dihydrochloride
IUPAC: acridin-9-yl-[2-[8-(quinolin-4-ylazaniumyl)octoxy]phenyl]azanium dichloride

Names & synonyms

9-(o-(8-(4-Quinolinylamino)octyloxy)anilino)acridine dihydrochloride66725-03-9ACRIDINE, 9-(o-(8-(4-QUINOLINYLAMINO)OCTYLOXY)ANILINO)-, DIHYDROCHLORIDE

Database identifiers

CAS: 66725-03-9
PubChem CID: 48013

Properties

Computed structural properties

Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 13
Heavy atoms: 43
Formal charge: 0
Complexity: 727

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