Methyl 4-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate
Basic information
- CAS
5809-58-5- Standard SMILES
COC(=O)c1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1- InChIKey
QDRNQCKHYWWNAM-UHFFFAOYSA-N- Molecular formula
- C18H17N3O4
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 339.12190603
Names & identifiers
- Preferred name
- Methyl 4-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate
- IUPAC
- methyl 4-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoate
Names & synonyms
471263-88-4methyl 4-[2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido]benzoate5809-58-5methyl 4-(2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamido)benzoateF0332-0059ZINC00046592CBMicro_030725Oprea1_116122DTXSID30386728ZINC00046591AKOS000647348AKOS016319342
Show more names
methyl 4-[[2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]benzoateST074517BIM-0030736.P001AF-399/13043116SR-01000467317SR-01000467317-1methyl 4-[2-(3-oxo-1,2,4-trihydroquinoxalin-2-yl)acetylamino]benzoatemethyl 4-{[(3-oxo-1,2,3,4-tetrahydro-2-quinoxalinyl)acetyl]amino}benzoate
Database identifiers
- CAS
5809-58-5- PubChem CID
- 2870523
- DTXSID
DTXSID30386728
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…