Basic information
- CAS
5778-65-4- Standard SMILES
COc1cccc2c(Cl)c3c(nc12)CCCCC3- InChIKey
UZPGPOWNZCKZNM-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO
- Average molar mass
- 261.74 g/mol
- Monoisotopic mass
- 261.0920418
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-chloro-4-methoxy-
- IUPAC
- 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
Names & synonyms
5778-65-4MAS 723BRN 14669416H-CYCLOHEPTA(b)QUINOLINE, 7,8,9,10-TETRAHYDRO-11-CHLORO-4-METHOXY-DTXSID802064677,8,9,10-Tetrahydro-11-chloro-4-methoxy-6H-cyclohepta(b)quinolineRefChem:309563DTXCID8012895811-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolineSCHEMBL30658921AKOS012716034
Database identifiers
- CAS
5778-65-4- PubChem CID
- 22004
- DTXSID
DTXSID80206467- Nikkaji
- J48.599C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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