Basic information
- CAS
6288-90-0- Standard SMILES
CCOC(=O)COc1cccc2c(=O)n(CC(=O)Nc3ccccc3OCC)ccc12- InChIKey
QFUKMPKNNLAXTM-UHFFFAOYSA-N- Molecular formula
- C23H24N2O6
- Average molar mass
- 424.4 g/mol
- Monoisotopic mass
- 424.16343649
Names & identifiers
- Preferred name
- Ethyl 2-[(2-{[(2-ethoxyphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate
- IUPAC
- ethyl 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
Names & synonyms
868224-08-2ethyl 2-[(2-{[(2-ethoxyphenyl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetate6288-90-0F1808-0095DTXSID40366713AKOS024610156AB00686548-01Ethyl ({2-[2-(2-ethoxyanilino)-2-oxoethyl]-1-oxo-1,2-dihydroisoquinolin-5-yl}oxy)acetateethyl 2-((2-(2-((2-ethoxyphenyl)amino)-2-oxoethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy)acetate
Database identifiers
- CAS
6288-90-0- PubChem CID
- 2149403
- DTXSID
DTXSID40366713
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 94.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 666
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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