1H-Azepino(4,5-b)quinoline, 2,3,4,5-tetrahydro-11-methyl-, 6-oxide, dihydrochloride
Basic information
- CAS
56516-38-2- Standard SMILES
Cc1c2c([n+]([O-])c3ccccc13)CCNCC2.Cl.Cl- InChIKey
SHWHMWGTXSPYFT-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2O
- Average molar mass
- 301.2 g/mol
- Monoisotopic mass
- 300.0796186
Names & identifiers
- Preferred name
- 1H-Azepino(4,5-b)quinoline, 2,3,4,5-tetrahydro-11-methyl-, 6-oxide, dihydrochloride
- IUPAC
- 11-methyl-6-oxido-2,3,4,5-tetrahydro-1H-azepino[4,5-b]quinolin-6-ium;dihydrochloride
Names & synonyms
1H-Azepino(4,5-b)quinoline, 2,3,4,5-tetrahydro-11-methyl-, 6-oxide, dihydrochloride1,2,4,5-Tetrahydro-11-methyl-3H-azepino(4,5-b)quinoline-6-N-oxide dihydrochloride56516-38-2DTXSID70205065RefChem:237393DTXCID70127556SCHEMBL1182995511-Methyl-6-oxo-2,3,4,5-tetrahydro-1H-6lambda~5~-azepino[4,5-b]quinoline--hydrogen chloride (1/2)
Database identifiers
- CAS
56516-38-2- PubChem CID
- 3044009
- DTXSID
DTXSID70205065
Properties
Computed structural properties
- Topological polar surface area
- 37.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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