Basic information
- Standard SMILES
CCOC(=O)c1cccc2c1C(=O)C(c1ccc(C(=O)N(C)C)cc1)C(c1ccc(C(OCC)OCC)cc1)N2- InChIKey
VLJNAKQPNOBPCB-UHFFFAOYSA-N- Molecular formula
- C32H36N2O6
- Average molar mass
- 544.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(4-(diethoxymethyl)phenyl)-3-(4-(dimethylcarbamoyl)phenyl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
- IUPAC
- ethyl 2-[4-(diethoxymethyl)phenyl]-3-[4-(dimethylcarbamoyl)phenyl]-4-oxo-2,3-dihydro-1H-quinoline-5-carboxylate
Names & synonyms
SCHEMBL2041557VLJNAKQPNOBPCB-UHFFFAOYSA-NEthyl 2-(4-(diethoxymethyl)phenyl)-3-(4-(dimethylcarbamoyl)phenyl)-4-oxo-1,2,3,4-tetrahydroquinoline-5-carboxylate
Database identifiers
- PubChem CID
- 67258167
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 842
Related reactions
6 records
Compound notes
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