Basic information
- CAS
5778-55-2- Standard SMILES
O=c1c2c([nH]c3c(Cl)cccc13)CCCCC2- InChIKey
ZYAPKWOHKRMBQA-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO
- Average molar mass
- 247.72 g/mol
- Monoisotopic mass
- 247.0763918
Names & identifiers
- Preferred name
- 11H-Cyclohepta(b)quinolin-11-one, 5,6,7,8,9,10-hexahydro-4-chloro-
- IUPAC
- 4-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
- English name
- 5,6,7,8,9,10-Hexahydro-4-chloro-11H-cyclohepta[b]quinolin-11-one
- Molecular formula
- C14H14ClNO
- Molecular weight
- 247.72
Names & synonyms
BRN 15337825778-55-211H-CYCLOHEPTA(b)QUINOLIN-11-ONE, 5,6,7,8,9,10-HEXAHYDRO-4-CHLORO-4-Chloro-5,6,7,8,9,10-hexahydro-11H-cyclohepta(b)quinolin-11-oneDTXSID602064654-chloro-5,6,7,8,9,10-hexahydro-11H-cyclohepta[b]quinolin-11-oneRefChem:236245DTXCID60128956AKOS0062157715,6,7,8,9,10-Hexahydro-4-chloro-11H-cyclohepta[b]quinolin-11-one11H-Cyclohepta[b]quinolin-11-one, 4-chloro-5,6,7,8,9,10-hexahydro-
Database identifiers
- CAS
5778-55-2- PubChem CID
- 22002
- DTXSID
DTXSID60206465- Nikkaji
- J75.312B
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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