Basic information
- CAS
23096-84-6- Standard SMILES
CCOC(=O)c1ccc2[nH]c(C)c(Cc3ccc(OCC)cc3)c(=O)c2c1- InChIKey
JCEIBUIATQDAEH-UHFFFAOYSA-N- Molecular formula
- C22H23NO4
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.16270821
Names & identifiers
- Preferred name
- Ethyl 3-(4-ethoxybenzyl)-4-hydroxy-2-methylquinoline-6-carboxylate
- IUPAC
- ethyl 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
Names & synonyms
23096-84-6Ethyl 3-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-methyl-6-quinolinecarboxylateethyl 3-(4-ethoxybenzyl)-4-hydroxy-2-methyl-6-quinolinecarboxylateOprea1_245981DTXSID901145638ethyl 3-(4-ethoxybenzyl)-4-hydroxy-2-methylquinoline-6-carboxylateSTL406720AKOS025251386ethyl 3-[(4-ethoxyphenyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylateAG-690/12764318ETHYL 3-[(4-ETHOXYPHENYL)METHYL]-4-HYDROXY-2-METHYLQUINOLINE-6-CARBOXYLATE
Database identifiers
- CAS
23096-84-6- PubChem CID
- 2869332
- DTXSID
DTXSID901145638
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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