Basic information
- Standard SMILES
COc1cccc(Nc2c(C(N)=O)cnc3cc(S(=O)c4cccc(C(=O)N(C)C)c4)ccc23)c1- InChIKey
SUHXAIYVEKZTFP-UHFFFAOYSA-N- Molecular formula
- C26H24N4O4S
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- 7-({3-[(Dimethylamino)carbonyl]phenyl}sulfinyl)-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide
- IUPAC
- 7-[3-(dimethylcarbamoyl)phenyl]sulfinyl-4-(3-methoxyanilino)quinoline-3-carboxamide
Names & synonyms
SCHEMBL4267964SUHXAIYVEKZTFP-UHFFFAOYSA-N7-({3-[(Dimethylamino)carbonyl]phenyl}sulfinyl)-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide
Database identifiers
- PubChem CID
- 57763192
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 780
Related reactions
4 records
Compound notes
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