Acridine, 9-(o-(5-(4-quinolinylamino)pentyloxy)anilino)-, dihydrochloride, hydrate

HCID 48007

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Basic information

CAS: 66725-00-6
Standard SMILES: [Cl-].[Cl-].c1ccc(OCCCCC[NH2+]c2ccnc3ccccc23)c([NH2+]c2c3ccccc3nc3ccccc23)c1
InChIKey: VIRZUBCKOPEEOR-UHFFFAOYSA-N
Molecular formula: C33H32Cl2N4O
Average molar mass: 571.5 g/mol
Monoisotopic mass: 570.195317

Names & identifiers

Preferred name: Acridine, 9-(o-(5-(4-quinolinylamino)pentyloxy)anilino)-, dihydrochloride, hydrate
IUPAC: acridin-9-yl-[2-[5-(quinolin-4-ylazaniumyl)pentoxy]phenyl]azanium dichloride

Names & synonyms

Acridine, 9-(o-(5-(4-quinolinylamino)pentyloxy)anilino)-, dihydrochloride, hydrate66725-00-69-(o-(5-(4-Quinolinylamino)pentyloxy)anilino)acridine dihydrochloride hydrate

Database identifiers

CAS: 66725-00-6
PubChem CID: 48007

Properties

Computed structural properties

Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 40
Formal charge: 0
Complexity: 682

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