Ethyl 3-(2-ethoxyquinolin-4-yl)-3-oxopropanoate
Basic information
- CAS
6332-46-3- Standard SMILES
CCOC(=O)CC(=O)c1cc(OCC)nc2ccccc12- InChIKey
AMGPZCYRVJKNPP-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- Ethyl 3-(2-ethoxyquinolin-4-yl)-3-oxopropanoate
- IUPAC
- ethyl 3-(2-ethoxyquinolin-4-yl)-3-oxopropanoate
Names & synonyms
6332-46-3ethyl 3-(2-ethoxyquinolin-4-yl)-3-oxopropanoateNSC25665DTXSID50979434NSC-25665
Database identifiers
- CAS
6332-46-3- PubChem CID
- 230591
- DTXSID
DTXSID50979434
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
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Compound notes
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