Cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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Basic information
- CAS
421571-64-4- Standard SMILES
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC2CCCC2)C3c2cccc(C)c2)cc1OC- InChIKey
DBDUBILUJKEQGK-UHFFFAOYSA-N- Molecular formula
- C31H35NO5
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.25152322
Names & identifiers
- Preferred name
- Cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- Molecular formula
- C31H35NO5
- Molecular weight
- 501.61
Names & synonyms
cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylatecyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_389302Oprea1_534397GNF-Pf-3440CHEMBL582277STK088219AKOS000537662AKOS021998511cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateEU-0076913ST50009779
Show more names
3-Quinolinecarboxylic acid, 7-(3,4-dimethoxyphenyl)-1,4,5,6,7,8-hexahydro-2-methyl-4-(3-methylphenyl)-5-oxo-, cyclopentyl ester
AG-690/40749278SR-01000480865SR-01000480865-1cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(3-methylphenyl)-5-oxo-1,4,6,7, 8-pentahydroquinoline-3-carboxylate
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 932
Physicochemical properties
- Boiling point
- 646.2 · 646.2±55.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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