(1beta,3alpha,4beta,9S)-6'-Methoxycinchonan-9-ol
Basic information
- CAS
42151-59-7- Standard SMILES
C=C[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12- InChIKey
LOUPRKONTZGTKE-FQZPYLGXSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- (1beta,3alpha,4beta,9S)-6'-Methoxycinchonan-9-ol
- IUPAC
- (S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Names & synonyms
42151-59-7RefChem:204787(1beta,3alpha,4beta,9S)-6'-Methoxycinchonan-9-ol(S)-[(2R,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanolCHEMBL460606SCHEMBL6351954DTXSID701282498EBC-58037NCGC00142453-01EN300-26906222(1R,9S)-6'-Methoxy-3alpha,4beta-cinchonan-9-ol(1I(2),3I+/-,4I(2),9S)-6a(2)-Methoxycinchonan-9-ol
Database identifiers
- CAS
42151-59-7- PubChem CID
- 637552
- DTXSID
DTXSID701282498- ChEMBL
CHEMBL460606- Nikkaji
- J3.768.461I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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