Basic information
- Standard SMILES
CCN(CC)C(=O)CCSC1c2c(c(O)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1- InChIKey
IHUZMSMEULHXEU-UHFFFAOYSA-N- Molecular formula
- C26H28FN3O4S
- Average molar mass
- 497.6 g/mol
Names & identifiers
- Preferred name
- N,N-Diethyl-3-[7-(4-fluoro-benzyl)-9-hydroxy-5-methoxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-6-ylsulfanyl]-propionamide
- IUPAC
- N,N-diethyl-3-[[7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-8-oxo-6H-pyrrolo[3,4-g]quinolin-6-yl]sulfanyl]propanamide
Names & synonyms
SCHEMBL4164701IHUZMSMEULHXEU-UHFFFAOYSA-NN,N-Diethyl-3-[7-(4-fluoro-benzyl)-9-hydroxy-5-methoxy-8-oxo-7,8-dihydro-6H-pyrrolo[3,4-g]quinolin-6-ylsulfanyl]-propionamide
Database identifiers
- PubChem CID
- 10323596
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 733
Related reactions
2 records
Compound notes
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