1-ethyl-3-methyl-1,3,9,10,11,12-hexahydro-2H-quino[4,3,2-ef][1,4]benzoxazepin-2-one
Basic information
- Standard SMILES
CCN1C(=O)C(C)Oc2cccc3nc4c(c1c23)CCCC4- InChIKey
UWYYVSYWZGTQGP-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
Names & identifiers
- Preferred name
- 1-ethyl-3-methyl-1,3,9,10,11,12-hexahydro-2H-quino[4,3,2-ef][1,4]benzoxazepin-2-one
- IUPAC
- 9-ethyl-7-methyl-6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaen-8-one
Names & synonyms
SCHEMBL9043081UWYYVSYWZGTQGP-UHFFFAOYSA-N1-ethyl-3-methyl-1,3,9,10,11,12-hexahydro-2H-quino[4,3,2-ef][1,4]benzoxazepin-2-one
Database identifiers
- PubChem CID
- 54376640
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 441
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Related reactions
3 records
Compound notes
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