Basic information
- CAS
879146-00-6- Standard SMILES
Cc1cccc(NC(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)c1- InChIKey
JERSTLACYSJISN-UHFFFAOYSA-N- Molecular formula
- C20H19N3O3
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.14264148
Names & identifiers
- Preferred name
- [2-(3-Methylanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
- IUPAC
- [2-(3-methylanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
Names & synonyms
[2-(3-methylanilino)-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylateMLS002245107CHEMBL1716962DTXSID901321787HMS3048A08AKOS001215007NCGC00277557-01879146-00-6SMR001308772AB00944283-05Z923935482-(3-Methylanilino)-2-oxoethyl 2,3-dimethylquinoxaline-6-carboxylate
Database identifiers
- CAS
879146-00-6- PubChem CID
- 8096961
- DTXSID
DTXSID901321787- ChEMBL
CHEMBL1716962
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Experimental & physicochemical properties
Solubility3.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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