Basic information
- Standard SMILES
CSCCN1C(=O)C(NC(=O)c2cc3cc(Cl)sc3[nH]2)Cc2ccccc21- InChIKey
IJTLZFBLUNVMEM-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O2S2
- Average molar mass
- 420 g/mol
Names & identifiers
- Preferred name
- 2-chloro-N-(1-[2-(methylthio)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide
- IUPAC
- 2-chloro-N-[1-(2-methylsulfanylethyl)-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
Names & synonyms
2-chloro-N-(1-[2-(methylthio)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl)-6h-thieno[2,3-b]pyrrole-5-carboxamide2-Chloro-N-{1-[2-(methylthio)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamideCHEMBL395707SCHEMBL5630427BDBM24366IJTLZFBLUNVMEM-UHFFFAOYSA-N600157-38-8DB-3302153,4-dihydro-2-quinolone (DHQ) derivative, 52-chloro-N-{1-[2-(methylsulfanyl)ethyl]-2-oxo-1,2,3,4-tetrahydroquinolin-3-yl}-6H-thieno[2,3-b]pyrrole-5-carboxamide
Database identifiers
- PubChem CID
- 10047731
- ChEMBL
CHEMBL395707
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 581
Related reactions
5 records
Compound notes
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