Basic information
- Standard SMILES
CSc1ccc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc2c1C- InChIKey
YFWVZCWOFSQBGT-UHFFFAOYSA-N- Molecular formula
- C20H19N3O2S
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- 4-(2,3-Dihydro-1-benzofuran-4-ylamino)-8-methyl-7-(methylthio)-3-quinolinecarboxamide
- IUPAC
- 4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-methyl-7-methylsulfanylquinoline-3-carboxamide
Names & synonyms
SCHEMBL2477811YFWVZCWOFSQBGT-UHFFFAOYSA-N4-(2,3-Dihydro-1-benzofuran-4-ylamino)-8-methyl-7-(methylthio)-3-quinolinecarboxamide
Database identifiers
- PubChem CID
- 57763246
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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