3-Isoquinolinecarboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-6-methyl-, hydrochloride (1:2)
Basic information
- CAS
590369-89-4- Standard SMILES
Cc1ccc2cnc(C(=O)N[C@H]3CN4CCC3CC4)cc2c1.Cl.Cl- InChIKey
OUAPLORHGUGCJC-RMRYJAPISA-N- Molecular formula
- C18H23Cl2N3O
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.1218178
Names & identifiers
- Preferred name
- 3-Isoquinolinecarboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-6-methyl-, hydrochloride (1:2)
- IUPAC
- N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylisoquinoline-3-carboxamide;dihydrochloride
Names & synonyms
SCHEMBL6101098DTXSID6013753473-Isoquinolinecarboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-6-methyl-, hydrochloride (1:2)590369-89-4
Database identifiers
- CAS
590369-89-4- PubChem CID
- 69664375
- DTXSID
DTXSID601375347
Properties
Computed structural properties
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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