Basic information
- Standard SMILES
CCOC(=O)c1cccc2c1C(=O)C(c1ccc(F)cc1)C(c1ccc(C(OCC)OCC)cc1)N2- InChIKey
HKSOUYFBQAXMFT-UHFFFAOYSA-N- Molecular formula
- C29H30FNO5
- Average molar mass
- 491.5 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-(diethoxymethyl)phenyl)-3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
- IUPAC
- ethyl 2-[4-(diethoxymethyl)phenyl]-3-(4-fluorophenyl)-4-oxo-2,3-dihydro-1H-quinoline-5-carboxylate
Names & synonyms
SCHEMBL2043598HKSOUYFBQAXMFT-UHFFFAOYSA-NEthyl 2-(4-(diethoxymethyl)phenyl)-3-(4-fluorophenyl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
Database identifiers
- PubChem CID
- 67258671
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 712
Related reactions
6 records
Compound notes
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