1-[7-Chloro-2-(4-chlorophenyl)quinolin-3-yl]-2-(diheptylamino)ethanol

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Basic information

CAS: 31589-04-5
Standard SMILES: CCCCCCCN(CCCCCCC)CC(O)c1cc2ccc(Cl)cc2nc1-c1ccc(Cl)cc1
InChIKey: KXVJEGQUIFBNLP-UHFFFAOYSA-N
Molecular formula: C31H42Cl2N2O
Average molar mass: 529.6 g/mol
Monoisotopic mass: 528.2674194

Names & identifiers

Preferred name: 1-[7-Chloro-2-(4-chlorophenyl)quinolin-3-yl]-2-(diheptylamino)ethanol
IUPAC: 1-[7-chloro-2-(4-chlorophenyl)quinolin-3-yl]-2-(diheptylamino)ethanol

Names & synonyms

31589-04-5NSC1512611-[7-chloro-2-(4-chlorophenyl)quinolin-3-yl]-2-(diheptylamino)ethanolDTXSID80329721NSC-1512611-[7-Chloro-2-(4-chlorophenyl)quinolin-3-yl]-2-(diheptylamino)ethan-1-ol

Database identifiers

CAS: 31589-04-5
PubChem CID: 423159
DTXSID: DTXSID80329721

Properties

Computed structural properties

XLogP: 10
Topological polar surface area: 36.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 16
Heavy atoms: 36
Formal charge: 0
Complexity: 557

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Compound notes

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