[2-(3-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
Basic information
- CAS
387857-30-9- Standard SMILES
COc1cccc(NC(=O)COC(=O)c2ccc3ccccc3n2)c1- InChIKey
KHKKNLPFMSICSI-UHFFFAOYSA-N- Molecular formula
- C19H16N2O4
- Average molar mass
- 336.3 g/mol
- Monoisotopic mass
- 336.111007
Names & identifiers
- Preferred name
- [2-(3-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
- IUPAC
- [2-(3-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
Names & synonyms
[2-(3-methoxyanilino)-2-oxoethyl] quinoline-2-carboxylateOprea1_379363MLS002246294CHEMBL1722643DTXSID801326146HMS3095A13AKOS002506383NCGC00315173-01387857-30-9SMR001309913AB00712386-01AB00712386-07
Show more names
Z197166602-(3-Methoxyanilino)-2-oxoethyl quinoline-2-carboxylate
Database identifiers
- CAS
387857-30-9- PubChem CID
- 3450167
- DTXSID
DTXSID801326146- ChEMBL
CHEMBL1722643
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Solubility43.4 [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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