4-(4-Fluorobenzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)pyridin-2(1H)-one hydrochloride

HCID 66873752
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Basic information

Standard SMILES
Cl.Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cc5)cc4=O)cc31)CCNCC2
InChIKey
VPLLGNKWBVUIMC-UHFFFAOYSA-N
Molecular formula
C25H25ClFN3O2
Average molar mass
453.9 g/mol

Names & identifiers

Preferred name
4-(4-Fluorobenzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)pyridin-2(1H)-one hydrochloride
IUPAC
4-[(4-fluorophenyl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one;hydrochloride

Names & synonyms

SCHEMBL1004830VPLLGNKWBVUIMC-UHFFFAOYSA-N4-(4-Fluorobenzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-8-yl)pyridin-2(1H)-one hydrochloride

Database identifiers

PubChem CID
66873752

Properties

Computed structural properties

Topological polar surface area
46.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
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Compound notes

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