Basic information
- CAS
47304-84-7- Standard SMILES
CCOC(=O)C(CCc1ccc2ccccc2n1)C(=O)OCC- InChIKey
XQZUNPZYXPKRCW-UHFFFAOYSA-N- Molecular formula
- C18H21NO4
- Average molar mass
- 315.4 g/mol
- Monoisotopic mass
- 315.14705815
Names & identifiers
- Preferred name
- Diethyl 2-(2-quinolin-2-ylethyl)propanedioate
- IUPAC
- diethyl 2-(2-quinolin-2-ylethyl)propanedioate
Names & synonyms
47304-84-7diethyl 2-(2-quinolin-2-ylethyl)propanedioateNSC99394DTXSID90295044NSC-99394Diethyl [2-(quinolin-2-yl)ethyl]propanedioate
Database identifiers
- CAS
47304-84-7- PubChem CID
- 264335
- DTXSID
DTXSID90295044
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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