4-Quinolinecarboxylic acid, 3-ethyl-, ethyl ester
Basic information
- CAS
21233-74-9- Standard SMILES
CCOC(=O)c1c(CC)cnc2ccccc12- InChIKey
UGXIZTYEIYEMKE-UHFFFAOYSA-N- Molecular formula
- C14H15NO2
- Average molar mass
- 229.27 g/mol
- Monoisotopic mass
- 229.11027872
Names & identifiers
- Preferred name
- 4-Quinolinecarboxylic acid, 3-ethyl-, ethyl ester
- IUPAC
- ethyl 3-ethylquinoline-4-carboxylate
Names & synonyms
21233-74-93-Ethylcinchoninic acid ethyl esterEthyl 3-ethyl-4-quinolinecarboxylate4-Quinolinecarboxylic acid, 3-ethyl-, ethyl esterCinchoninic acid, 3-ethyl-, ethyl esterDTXSID90175478NSC 91894RefChem:296288DTXCID9097969ethyl 3-ethylquinoline-4-carboxylateNSC91894NSC-91894
Show more names
DS-004819
Database identifiers
- CAS
21233-74-9- PubChem CID
- 210398
- DTXSID
DTXSID90175478
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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