2-(7-Chloro-6-fluoroquinolin-2-yl)methoxy-11-hydroxy-8-(2-acetylethyl)-6,11-dihydrodibenz[b,e]oxepine

HCID 23359136
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Basic information

Standard SMILES
CC(=O)CCc1ccc2c(c1)COc1ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc1C2O
InChIKey
XAUSUYXBGPSATQ-UHFFFAOYSA-N
Molecular formula
C28H23ClFNO4
Average molar mass
491.9 g/mol

Names & identifiers

Preferred name
2-(7-Chloro-6-fluoroquinolin-2-yl)methoxy-11-hydroxy-8-(2-acetylethyl)-6,11-dihydrodibenz[b,e]oxepine
IUPAC
4-[2-[(7-chloro-6-fluoroquinolin-2-yl)methoxy]-11-hydroxy-6,11-dihydrobenzo[c][1]benzoxepin-8-yl]butan-2-one

Names & synonyms

SCHEMBL7810780XAUSUYXBGPSATQ-UHFFFAOYSA-N2-(7-Chloro-6-fluoroquinolin-2-yl)methoxy-11-hydroxy-8-(2-acetylethyl)-6,11-dihydrodibenz[b,e]oxepine

Database identifiers

PubChem CID
23359136

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
68.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
35

Related reactions

4 records
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Compound notes

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