2-Phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
5706-14-9- Standard SMILES
COc1cc(C2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(c2ccc(Cl)cc2)C3)ccc1OCc1ccccc1- InChIKey
JGKRXGLYGYOROR-UHFFFAOYSA-N- Molecular formula
- C39H36ClNO5
- Average molar mass
- 634.2 g/mol
- Monoisotopic mass
- 633.2282009
Names & identifiers
- Preferred name
- 2-Phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- 2-((4-Methoxyphenyl)methylene)indan-1-one
- Molecular formula
- C17H14O2
- Molecular weight
- 250.29
Names & synonyms
GNF-Pf-33072-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-phenylethyl 7-(4-chlorophenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateCHEMBL601975DTXSID00386437STK065319AKOS003246097AKOS022080205ST50722878AG-690/12892963SR-01000422560SR-01000422560-1
Show more names
2-((4-Methoxyphenyl)methylene)indan-1-one2-(4-Methoxybenzylidene)-2,3-dihydro-1H-inden-1-one1H-Inden-1-one, 2,3-dihydro-2-[(4-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)methylidene]-2,3-dihydro-1H-inden-1-one
2-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate2-phenylethyl 7-(4-chlorophenyl)-4-[3-methoxy-4-(phenylmethoxy)phenyl]-2-methy l-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate330848-88-9phenethyl 4-(4-(benzyloxy)-3-methoxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,110
Physicochemical properties
- Melting point
- 141 °C · 141 °C
- Boiling point
- 440.8 · 440.8±45.0 °C(Predicted)
- Density
- 1.21 · 1.210±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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