Quinidinone
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Basic information
- CAS
14528-53-1- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@@H]2C(=O)c1ccnc2ccc(OC)cc12- InChIKey
SRFCUPVBYYAMIL-CKFHNAJUSA-N- Molecular formula
- C20H22N2O2
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.16812794
Overview
Quinidinone has been reported in Cinchona and Cinchona pubescens with data available.
Names & identifiers
- Preferred name
- Quinidinone
- IUPAC
- [(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
- English name
- 6'-methoxycinchonan-9-one
- Molecular formula
- C20H22N2O2
- Molecular weight
- 322.40088
Names & synonyms
Quinidinone6'-Methoxycinchonan-9-one14528-53-1EINECS 238-549-5[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone((2R,4S,5R)-5-ethenyl-1-azabicyclo(2.2.2)octan-2-yl)-(6-methoxyquinolin-4-yl)methanoneRefChem:178194(6-Methoxy-4-quinolyl)(5-vinyl-1-azabicyclo(2.2.2)oct-2-yl)methanone(6-Methoxy-4-quinolyl)(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methanone238-549-5SRFCUPVBYYAMIL-UHFFFAOYSA-NGA35FX6R7E
Show more names
2'-Quinidinone(8R)-6'-Methoxycinchonan-9-one
6/'-methoxycinchonan-9-oneQuinidine, 9-deoxy-9-oxo-CHEMBL2262642Cinchonan-9-one, 6'-methoxy-DTXSID3010212944-[(2R,4S,5R)-5-ETHENYL-1-AZABICYCLO[2.2.2]OCTANE-2-CARBONYL]-6-METHOXYQUINOLINENS00086890
Database identifiers
- CAS
14528-53-1- PubChem CID
- 84497
- DTXSID
DTXSID301021294- ChEMBL
CHEMBL2262642- UNII
- GA35FX6R7E
- EC Number
- 238-549-5
- Nikkaji
- J241.287J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 477.8 · 477.8±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 7.45 · 7.45±0.70(Predicted)
Related reactions
2 records
Compound notes
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