2,3,9,10,11,12-Hexahydro-1-propyl-1H-quino[4,3,2-ef][1,4]benzoxazepine
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Basic information
- Standard SMILES
CCCN1CCOc2cccc3nc4c(c1c23)CCCC4- InChIKey
KORQKRUONCESOR-UHFFFAOYSA-N- Molecular formula
- C18H22N2O
- Average molar mass
- 282.4 g/mol
Names & identifiers
- Preferred name
- 2,3,9,10,11,12-Hexahydro-1-propyl-1H-quino[4,3,2-ef][1,4]benzoxazepine
- IUPAC
- 9-propyl-6-oxa-9,17-diazatetracyclo[8.7.1.05,18.011,16]octadeca-1(18),2,4,10,16-pentaene
Names & synonyms
SCHEMBL9041237KORQKRUONCESOR-UHFFFAOYSA-N2,3,9,10,11,12-Hexahydro-1-propyl-1H-quino[4,3,2-ef][1,4]benzoxazepine
Database identifiers
- PubChem CID
- 54005644
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 25.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 361
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Related reactions
3 records
Compound notes
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