Basic information
- CAS
93663-76-4- Standard SMILES
CCOC(=O)c1c(-c2ccccc2)[nH]c2c(Cl)cccc2c1=O- InChIKey
HJAOITQAWQQQOU-UHFFFAOYSA-N- Molecular formula
- C18H14ClNO3
- Average molar mass
- 327.8 g/mol
- Monoisotopic mass
- 327.066221
Names & identifiers
- Preferred name
- 3-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-2-phenyl-, ethyl ester
- IUPAC
- ethyl 8-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
Names & synonyms
BRN 02977983-Quinolinecarboxylic acid, 8-chloro-4-hydroxy-2-phenyl-, ethyl esterEthyl 8-chloro-4-hydroxy-2-phenyl-3-quinolinecarboxylate93663-76-4SCHEMBL18079064DTXSID70239507Ethyl 8-chloro-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carboxylate
Database identifiers
- CAS
93663-76-4- PubChem CID
- 3022166
- DTXSID
DTXSID70239507
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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