(3R)-3-Benzyl-4-hydroxy-7-methoxy-2-oxo-2,3-dihydroquinolin-1-ium
Basic information
- CAS
103929-52-8- Standard SMILES
COc1ccc2c(c1)[NH+]=C(O)[C@H](Cc1ccccc1)C2=O- InChIKey
MRVSIKHIDHFCAC-CQSZACIVSA-O- Molecular formula
- C17H16NO3+
- Average molar mass
- 282.31 g/mol
- Monoisotopic mass
- 282.11301837
Names & identifiers
- Preferred name
- (3R)-3-Benzyl-4-hydroxy-7-methoxy-2-oxo-2,3-dihydroquinolin-1-ium
- IUPAC
- (3S)-3-benzyl-2-hydroxy-7-methoxy-3H-quinolin-1-ium-4-one
Names & synonyms
DTXSID50716124(3R)-3-Benzyl-4-hydroxy-7-methoxy-2-oxo-2,3-dihydroquinolin-1-ium103929-52-8
Database identifiers
- CAS
103929-52-8- PubChem CID
- 51372001
- DTXSID
DTXSID50716124
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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