Basic information
- CAS
100482-49-3- Standard SMILES
CCC([NH2+]c1ccnc2cc(Cl)ccc12)C(=O)N1CCCCC1.[Cl-]- InChIKey
AGGXISLKQNKJQE-UHFFFAOYSA-N- Molecular formula
- C18H23Cl2N3O
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.1218178
Names & identifiers
- Preferred name
- 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride
- IUPAC
- (7-chloroquinolin-4-yl)-(1-oxo-1-piperidin-1-ylbutan-2-yl)azanium chloride
Names & synonyms
2-(7-Chloro-4-quinolylamino)-1-piperidino-1-butanone monohydrochloride1-BUTANONE, 2-(7-CHLORO-4-QUINOLYLAMINO)-1-PIPERIDINO-, MONOHYDROCHLORIDE100482-49-3RefChem:228890
Database identifiers
- CAS
100482-49-3- PubChem CID
- 57908
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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