Basic information
- CAS
5778-66-5- Standard SMILES
CCc1cccc2c(Cl)c3c(nc12)CCCCC3- InChIKey
RJRPKIXXMGYYII-UHFFFAOYSA-N- Molecular formula
- C16H18ClN
- Average molar mass
- 259.77 g/mol
- Monoisotopic mass
- 259.1127773
Names & identifiers
- Preferred name
- 11-chloro-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
- IUPAC
- 11-chloro-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Names & synonyms
DTXSID801175307AKOS01271625611-chloro-4-ethyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline5778-66-5
Database identifiers
- CAS
5778-66-5- PubChem CID
- 63409232
- DTXSID
DTXSID801175307
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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