Basic information
- CAS
494195-23-2- Standard SMILES
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1ccc(C(=O)OC)cc1- InChIKey
MMHWKGCDBGYZTM-UHFFFAOYSA-N- Molecular formula
- C31H35NO7
- Average molar mass
- 533.6 g/mol
Names & identifiers
- Preferred name
- butyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- butyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- butyl 7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C31H35NO7
- Molecular weight
- 533.61
Names & synonyms
butyl 7-(3,4-dimethoxyphenyl)-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylatebutyl 7-(3,4-dimethoxyphenyl)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateAG-690/407539593-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-, butyl ester
Database identifiers
- CAS
494195-23-2
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 977
Physicochemical properties
- Boiling point
- 664 · 664.0±55.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 0.8 · 0.80±0.70(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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