4-[(R)-[(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
Basic information
- CAS
6787-39-9- Standard SMILES
C/C=C1/CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc12- InChIKey
VBKQRUUVDAWDIP-GXIKEYOTSA-N- Molecular formula
- C19H22N2O2
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.16812795
Names & identifiers
- Preferred name
- 4-[(R)-[(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
- IUPAC
- 4-[(R)-[(2S,4S,5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
Names & synonyms
TCMDC-138167CHEMBL547419DTXSID6011756686787-39-9(3E)-8alpha-1',3-Didehydro-1',11-dihydrocinchonan-6',9-diolCinchonan-6a(2),9-diol, 3,10-didehydro-10,11-dihydro-, (3E,8I+/-,9R)-
Database identifiers
- CAS
6787-39-9- PubChem CID
- 44532162
- DTXSID
DTXSID601175668- ChEMBL
CHEMBL547419
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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