1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine

HCID 10074081

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Basic information

CAS: 162664-44-0
Standard SMILES: CN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)c3ccccc32)c2ccccc12
InChIKey: WKUWQOOBTXYONE-UHFFFAOYSA-N
Molecular formula: C32H44N4+2
Average molar mass: 484.7 g/mol
Monoisotopic mass: 484.35659742

Names & identifiers

Preferred name: 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine
IUPAC: 1-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amine

Names & synonyms

CHEMBL326610162664-44-01-[10-[4-(dimethylamino)quinolin-1-ium-1-yl]decyl]-N,N-dimethylquinolin-1-ium-4-amineDTXSID20435178BDBM504703821,1'-(Decane-1,10-diyl)bis[4-(dimethylamino)quinolin-1-ium]

Database identifiers

CAS: 162664-44-0
PubChem CID: 10074081
DTXSID: DTXSID20435178
ChEMBL: CHEMBL326610
Nikkaji: J696.207F

Properties

Computed structural properties

XLogP: 8.1
Topological polar surface area: 14.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 13
Heavy atoms: 36
Formal charge: 2
Complexity: 555

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