6'-Methoxy-3alpha-cinchonan-9-ol
Basic information
- CAS
101143-88-8- Standard SMILES
C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(OC)cc12- InChIKey
LOUPRKONTZGTKE-NIHZBZNOSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 6'-Methoxy-3alpha-cinchonan-9-ol
- IUPAC
- (S)-[(2S,4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Names & synonyms
SCHEMBL6353278DTXSID7012738956'-Methoxy-3alpha-cinchonan-9-ol101143-88-8NS00068059Cinchonan-9-ol, 6a(2)-methoxy-, (3I+/-,8I+/-,9S)-
Database identifiers
- CAS
101143-88-8- PubChem CID
- 667448
- DTXSID
DTXSID701273895
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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Compound notes
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