Methyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
5707-81-3- Standard SMILES
COC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)cc3)C2)C1c1cccc(O)c1- InChIKey
CRZLNFNCDDWOPR-UHFFFAOYSA-N- Molecular formula
- C25H25NO5
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.1732729
Names & identifiers
- Preferred name
- Methyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- methyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
5707-81-3methyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateST016968methyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateOprea1_148491Oprea1_416689SCHEMBL5369491SCHEMBL30938417DTXSID70386449STK363573AKOS000658562AKOS022016954
Show more names
AB00094266-01AG-205/12537071SR-01000524276SR-01000524276-1methyl 4-(3-hydroxyphenyl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentah ydroquinoline-3-carboxylate
Database identifiers
- CAS
5707-81-3- PubChem CID
- 2863469
- DTXSID
DTXSID70386449
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 777
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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