(3S,4R,6R)-3-ethenyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
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Basic information
- Standard SMILES
C=C[C@@]1(O)CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12- InChIKey
BSRUJCFCZKMFMB-NWTFUFRBSA-N- Molecular formula
- C20H24N2O3
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.17869263
Names & identifiers
- Preferred name
- (3S,4R,6R)-3-ethenyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
- IUPAC
- (3S,4R,6R)-3-ethenyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Names & synonyms
SCHEMBL15263266BSRUJCFCZKMFMB-NWTFUFRBSA-N
Database identifiers
- PubChem CID
- 124012
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
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Related reactions
1 records
Compound notes
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