methyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Basic information
- CAS
5474-00-0- Standard SMILES
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC- InChIKey
DSWNUCDMQUKWCU-UHFFFAOYSA-N- Molecular formula
- C20H23NO5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.15762283
Names & identifiers
- Preferred name
- methyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- methyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
5474-00-0methyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateDTXSID10385875RefChem:355326DTXCID20336898methyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_598644Oprea1_656186SCHEMBL3323863STK363138AKOS000653078AKOS022065205
Show more names
CCG-103728ST013073EU-0034376AB00086281-01SR-01000403220SR-01000403220-1methyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatemethyl 4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3- carboxylate
Database identifiers
- CAS
5474-00-0- PubChem CID
- 2847745
- DTXSID
DTXSID10385875
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 651
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Compound notes
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