Basic information
- Standard SMILES
COc1ccc(CSc2ccc3ncc(C(N)=O)c(Nc4cccc(OC)c4)c3c2)cc1- InChIKey
YSINRCPFNQEERX-UHFFFAOYSA-N- Molecular formula
- C25H23N3O3S
- Average molar mass
- 445.5 g/mol
Names & identifiers
- Preferred name
- 4-{[3-(Methyloxy)phenyl]amino}-6-({[4-(methyloxy)phenyl]methyl}thio)-3-quinolinecarboxamide
- IUPAC
- 4-(3-methoxyanilino)-6-[(4-methoxyphenyl)methylsulfanyl]quinoline-3-carboxamide
Names & synonyms
SCHEMBL2482906YSINRCPFNQEERX-UHFFFAOYSA-N4-{[3-(Methyloxy)phenyl]amino}-6-({[4-(methyloxy)phenyl]methyl}thio)-3-quinolinecarboxamide
Database identifiers
- PubChem CID
- 57763240
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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