N-[4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-methoxyquinolin-5-yl]acetamide
Basic information
- CAS
56847-12-2- Standard SMILES
C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)c(NC(C)=O)c12- InChIKey
DZQYRCIXKWAWKX-MECALSEWSA-N- Molecular formula
- C22H27N3O3
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- N-[4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-methoxyquinolin-5-yl]acetamide
- IUPAC
- N-[4-[(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]-6-methoxyquinolin-5-yl]acetamide
- English name
- N-[(8α,9R)-9-Hydroxy-6'-methoxycinchonan-5'-yl]acetamide
- Molecular formula
- C22H27N3O3
- Molecular weight
- 381.47
Names & synonyms
N-[(8α,9R)-9-Hydroxy-6'-methoxycinchonan-5'-yl]acetamideAcetamide, N-[(8α,9R)-9-hydroxy-6'-methoxycinchonan-5'-yl]- (9CI)
Database identifiers
- CAS
56847-12-2- Nikkaji
- J113.796D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- Boiling point
- 597.889 · 597.889±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.260±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.507 · 12.507±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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