Ethyl 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
Basic information
- CAS
106944-52-9- Standard SMILES
CCOC(=O)c1cnc2c(c1)C(=O)CC(C)(C)C2- InChIKey
XAIRHYGGDDMHRS-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- Ethyl 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
- IUPAC
- ethyl 7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
- English name
- Ethyl 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
- Molecular formula
- C14H17NO3
- Molecular weight
- 247.29
Names & synonyms
106944-52-9Ethyl 7,7-Dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylateDTXSID10544743RefChem:344609DTXCID50495528ethyl 7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate3-Quinolinecarboxylicacid, 5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, ethyl esterEthyl 7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-quinoline-3-carboxylateSBB054050AKOS022180598TS-03400DB-360555
Show more names
3-Quinolinecarboxylic acid, 5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-, ethyl ester
ethyl 7,7-dimethyl-5-oxo-6,7,8-trihydroquinoline-3-carboxylate7,7-dimethyl-5-oxo-6,8-dihydro-quinoline-3-carboxylic acid ethyl ester
Database identifiers
- CAS
106944-52-9- PubChem CID
- 13600367
- DTXSID
DTXSID10544743
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 108 · 108-109 °C(Press: 0.025 Torr)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- pka
- 1.94 · 1.94±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…