Basic information
- Standard SMILES
COc1cccc(Nc2c(C(N)=O)cnc3cc(S(=O)c4cccc(C(=O)N(C)C)c4)c(I)cc23)c1- InChIKey
MLNXEGSKMKSMGP-UHFFFAOYSA-N- Molecular formula
- C26H23IN4O4S
- Average molar mass
- 614.5 g/mol
Names & identifiers
- Preferred name
- 7-({3-[(Dimethylamino)carbonyl]phenyl}sulfinyl)-6-iodo-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide
- IUPAC
- 7-[3-(dimethylcarbamoyl)phenyl]sulfinyl-6-iodo-4-(3-methoxyanilino)quinoline-3-carboxamide
Names & synonyms
SCHEMBL2478444MLNXEGSKMKSMGP-UHFFFAOYSA-N7-({3-[(Dimethylamino)carbonyl]phenyl}sulfinyl)-6-iodo-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide
Database identifiers
- PubChem CID
- 57763195
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 817
Related reactions
4 records
Compound notes
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