Basic information
- Standard SMILES
COC(=O)c1c(C)csc1NC(=O)CN1C(=O)CCc2ccccc21- InChIKey
VYQHPOVDIRILEA-UHFFFAOYSA-N- Molecular formula
- C18H18N2O4S
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.09872823
Names & identifiers
- Preferred name
- Methyl 4-methyl-2-(2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamido)thiophene-3-carboxylate
- IUPAC
- methyl 4-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]thiophene-3-carboxylate
Names & synonyms
CHEMBL1682005Methyl 4-methyl-2-(2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamido)thiophene-3-carboxylateSCHEMBL3782050SCHEMBL29456227VYQHPOVDIRILEA-UHFFFAOYSA-NBDBM50338282Methyl 4-methyl-(2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamido)thiophene-3-carboxylate
Database identifiers
- PubChem CID
- 53322984
- ChEMBL
CHEMBL1682005
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 541
Related reactions
6 records
Compound notes
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