Basic information
- CAS
131929-07-2- Standard SMILES
CCOC(=O)C1=CNC2=C(C(=O)CCC2)C1C(=O)OCC- InChIKey
LJWHKVWUCQIKFH-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- 3,4-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-, diethyl ester
- IUPAC
- diethyl 5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,4-dicarboxylate
Names & synonyms
131929-07-23,4-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-5-oxo-, diethyl esterRefChem:1065838BRN 4756692Diethyl 1,4,5,6,7,8-hexahydro-5-oxo-3,4-quinolinedicarboxylateDTXSID80927408Diethyl 5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,4-dicarboxylate
Database identifiers
- CAS
131929-07-2- PubChem CID
- 3076563
- DTXSID
DTXSID80927408
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 532
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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