4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-6-methoxy-, hydrochloride
Basic information
- CAS
38925-91-6- Standard SMILES
COc1ccc2nccc(NCCSCCCl)c2c1.Cl- InChIKey
HXGQYOOXEBBWDC-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N2OS
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 332.0516898
Names & identifiers
- Preferred name
- 4-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-6-methoxy-, hydrochloride
- IUPAC
- N-[2-(2-chloroethylsulfanyl)ethyl]-6-methoxyquinolin-4-amine;hydrochloride
Names & synonyms
ICR 3534-((2-((2-Chloroethyl)thio)ethyl)amino)-6-methoxyquinoline hydrochloride38925-91-64-Quinolineamine, N-(2-((2-chloroethyl)thio)ethyl)-6-methoxy-, hydrochlorideQuinoline, 4-((2-((2-chloroethyl)thio)ethyl)amino)-6-methoxy-, hydrochlorideRefChem:296245DTXSID40959765N-{2-[(2-Chloroethyl)sulfanyl]ethyl}-6-methoxyquinolin-4(1H)-imine--hydrogen chloride (1/1)
Database identifiers
- CAS
38925-91-6- PubChem CID
- 217571
- DTXSID
DTXSID40959765
Properties
Computed structural properties
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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