ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Basic information
- CAS
5708-96-3- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C1c1ccccc1OC(C)C- InChIKey
FGRPUMPYWFJMLK-UHFFFAOYSA-N- Molecular formula
- C29H33NO5
- Average molar mass
- 475.6 g/mol
- Monoisotopic mass
- 475.23587315
Names & identifiers
- Preferred name
- ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
5708-96-3AG-690/12620682ethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateEthyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 7-(4-methoxyphenyl)-2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateOprea1_570925Oprea1_586085SCHEMBL5334064DTXSID60386458STK035167AKOS000658819AKOS021987863
Show more names
ST015251SR-01000420798SR-01000420798-1ethyl 4-(2-isopropoxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateethyl 7-(4-methoxyphenyl)-2-methyl-4-[2-(methylethoxy)phenyl]-5-oxo-1,4,6,7,8- pentahydroquinoline-3-carboxylate
Database identifiers
- CAS
5708-96-3- PubChem CID
- 2863563
- DTXSID
DTXSID60386458
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 851
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Compound notes
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