Acridine, 9-(o-(4-(4-quinolinylamino)butoxy)anilino)-, dihydrochloride, dihydrate

HCID 48005

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Basic information

CAS: 66724-99-0
Standard SMILES: [Cl-].[Cl-].c1ccc(OCCCC[NH2+]c2ccnc3ccccc23)c([NH2+]c2c3ccccc3nc3ccccc23)c1
InChIKey: HYOSGZNENKIVQD-UHFFFAOYSA-N
Molecular formula: C32H30Cl2N4O
Average molar mass: 557.5 g/mol
Monoisotopic mass: 556.179667

Names & identifiers

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

Names & synonyms

Acridine, 9-(o-(4-(4-quinolinylamino)butoxy)anilino)-, dihydrochloride, dihydrate66724-99-09-(o-(4-(4-Quinolinylamino)butoxy)anilino)acridine dihydrochloride dihydrate

Database identifiers

CAS: 66724-99-0
PubChem CID: 48005

Properties

Computed structural properties

Topological polar surface area: 68.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 39
Formal charge: 0
Complexity: 668

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