Basic information
- CAS
878680-55-8- Standard SMILES
CCOC(=O)C(C(=O)OCC)c1c(C(C)=O)c(=O)n(-c2ccccc2)c2ccccc12- InChIKey
UCYIMTFBIFTIQJ-UHFFFAOYSA-N- Molecular formula
- C24H23NO6
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.15253745
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-(3-acetyl-1,2-dihydro-2-oxo-1-phenyl-4-quinolinyl)propanedioate
- IUPAC
- diethyl 2-(3-acetyl-2-oxo-1-phenylquinolin-4-yl)propanedioate
Names & synonyms
1,3-Diethyl 2-(3-acetyl-1,2-dihydro-2-oxo-1-phenyl-4-quinolinyl)propanedioate878680-55-8RefChem:218496DTXSID701140418Diethyl (3-acetyl-2-oxo-1-phenyl-1,2-dihydroquinolin-4-yl)propanedioate
Database identifiers
- CAS
878680-55-8- PubChem CID
- 11618644
- DTXSID
DTXSID701140418
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 733
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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