4-(Benzyloxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin-2(1H)-one
Basic information
- Standard SMILES
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCCNC2- InChIKey
BCAMBGJXPGJPAB-UHFFFAOYSA-N- Molecular formula
- C25H25N3O2
- Average molar mass
- 399.5 g/mol
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin-2(1H)-one
- IUPAC
- 1-(10-methyl-2,3,4,5-tetrahydro-1H-azepino[3,4-b]indol-8-yl)-4-phenylmethoxypyridin-2-one
Names & synonyms
SCHEMBL1005057CHEMBL3665325PMID25522065-Compound-2BCAMBGJXPGJPAB-UHFFFAOYSA-NBDBM113614US8637501, 184-(Benzyloxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin-2(1H)-one
Database identifiers
- PubChem CID
- 49869488
- ChEMBL
CHEMBL3665325
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 684
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Related reactions
2 records
Compound notes
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