Basic information
- CAS
299948-00-8- Standard SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1OC- InChIKey
BPFWWOQYHZBVPK-UHFFFAOYSA-N- Molecular formula
- C22H27NO6
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.18383758
Names & identifiers
- Preferred name
- Ethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- ethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- English name
- ethyl 2-methyl-5-oxo-4-[2,3,4-tris(methyloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- Molecular formula
- C22H27NO6
- Molecular weight
- 401.45288
Names & synonyms
ethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate299948-00-8ethyl 2-methyl-5-oxo-4-[2,3,4-tris(methyloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateOprea1_439324Oprea1_771929STK363209AKOS000573055AKOS021984814ethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylateST013176AB00086295-01AG-690/10381032
Show more names
SR-01000403499SR-01000403499-1ethyl 2-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-1,4,6,7,8-pentahydroquinoline- 3-carboxylate
Database identifiers
- CAS
299948-00-8- PubChem CID
- 2847779
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 712
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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