Basic information
- CAS
18833-68-6- Standard SMILES
CN(C)CCSc1c2c(nc3ccc(Cl)cc13)CCCCC2- InChIKey
UAQGTCWZAVCRFX-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2S
- Average molar mass
- 334.9 g/mol
- Monoisotopic mass
- 334.1270476
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 2-chloro-11-((2-(dimethylamino)ethyl)thio)-7,8,9,10-tetrahydro-
- IUPAC
- 2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-dimethylethanamine
- English name
- 2-Chloro-11-[[2-(dimethylamino)ethyl]thio]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
- Molecular weight
- 0
Names & synonyms
18833-68-6BRN 14825166H-Cyclohepta(b)quinoline, 2-chloro-11-((2-(dimethylamino)ethyl)thio)-7,8,9,10-tetrahydro-DTXSID501721855-21-03-00531 (Beilstein Handbook Reference)2-Chloro-11-((2-(dimethylamino)ethyl)thio)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline2-Chloro-11-[[2-(dimethylamino)ethyl]thio]-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolineRefChem:309544DTXCID30946762-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-dimethylethanamine2-[(2-Chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)sulfanyl]-N,N-dimethylethan-1-amine
Database identifiers
- CAS
18833-68-6- PubChem CID
- 29288
- DTXSID
DTXSID50172185- Nikkaji
- J75.302E
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 41.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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