Basic information
- CAS
5778-57-4- Standard SMILES
O=c1c2c([nH]c3ccc(Cl)cc13)CCCCC2- InChIKey
GKWWPFSAIOSLSR-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-2-CHLORO-
- IUPAC
- 2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
- English name
- 5,6,7,8,9,10-Hexahydro-2-chloro-11H-cyclohepta[b]quinolin-11-one
- Molecular formula
- C14H14ClNO
- Molecular weight
- 247.72
Names & synonyms
11H-CYCLOHEPTA(b)QUINOLIN-11-ONE, 5,6,7,8,9,10-HEXAHYDRO-2-CHLORO-5778-57-42-Chloro-5,6,7,8,9,10-hexahydro-11H-cyclohepta(b)quinolin-11-one2-chloro-5,6,7,8,9,10-hexahydro-11H-cyclohepta[b]quinolin-11-oneBRN 1532069Oprea1_484859SCHEMBL18065451DTXSID20206466GKWWPFSAIOSLSR-UHFFFAOYSA-NAKOS0126564405,6,7,8,9,10-Hexahydro-2-chloro-11H-cyclohepta[b]quinolin-11-one11H-Cyclohepta[b]quinolin-11-one, 2-chloro-5,6,7,8,9,10-hexahydro-
Database identifiers
- CAS
5778-57-4- PubChem CID
- 22003
- DTXSID
DTXSID20206466- Nikkaji
- J75.311D
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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