Basic information
- CAS
1076202-13-5- Standard SMILES
CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12- InChIKey
LJOQGZACKSYWCH-UHFFFAOYSA-N- Molecular formula
- C20H26N2O2
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.19942808
Names & identifiers
- Preferred name
- (5-Ethyl-1-azabicyclo(2.2.2)octan-2-yl)(6-methoxyquinolin-4-yl)methanol
- IUPAC
- (5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol
Names & synonyms
1076202-13-5{5-ethyl-1-azabicyclo[2.2.2]octan-2-yl}(6-methoxyquinolin-4-yl)methanolDTXSID00903284(5-Ethyl-1-azabicyclo(2.2.2)octan-2-yl)(6-methoxyquinolin-4-yl)methanol[5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl](6-methoxyquinolin-4-yl)methanolRefChem:1050572DTXCID20203475Dihydrochinidin10,11-Dihydroquinidine6'-Methoxy-10,11-dihydrocinchonan-9-ol(1S)((4S,2R,5R)-5-ethylquinuclidin-2-yl)(6-methoxy(4-quinolyl))methan-1-olCinchonan-9-ol, 10,11-dihydro-6'-methoxy-, (9S)-
Show more names
NSC41799(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol6'-Methoxy-10,11-dihydrocinchonan-9-ol #Quinine,11-dihydro-Dihydroquinidine;(+)-Hydroquinidine;HydroconquinineSCHEMBL308963orb1220580SCHEMBL30349969
Database identifiers
- CAS
1076202-13-5、522-66-7- PubChem CID
- 3649
- DTXSID
DTXSID00903284
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 432
Related reactions
4 records
Compound notes
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