Acridine, 9-(o-(6-(4-quinolinylamino)hexyloxy)anilino)-, dihydrochloride, hemihydrate

HCID 48009

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Basic information

CAS: 66725-01-7
Standard SMILES: [Cl-].[Cl-].c1ccc(OCCCCCC[NH2+]c2ccnc3ccccc23)c([NH2+]c2c3ccccc3nc3ccccc23)c1
InChIKey: VSEWHAJJFKQPBN-UHFFFAOYSA-N
Molecular formula: C34H34Cl2N4O
Average molar mass: 585.6 g/mol
Monoisotopic mass: 584.2109671

Names & identifiers

Preferred name: Acridine, 9-(o-(6-(4-quinolinylamino)hexyloxy)anilino)-, dihydrochloride, hemihydrate
IUPAC: acridin-9-yl-[2-[6-(quinolin-4-ylazaniumyl)hexoxy]phenyl]azanium dichloride

Names & synonyms

Acridine, 9-(o-(6-(4-quinolinylamino)hexyloxy)anilino)-, dihydrochloride, hemihydrate66725-01-79-(o-(6-(4-Quinolinylamino)hexyloxy)anilino)acridine dihydrochloride hemihydrate

Database identifiers

CAS: 66725-01-7
PubChem CID: 48009

Properties

Computed structural properties

Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 11
Heavy atoms: 41
Formal charge: 0
Complexity: 697

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