Basic information
- Standard SMILES
COc1cccc(Nc2c(C(N)=O)cnc3cc(Sc4cccc(C(=O)N(C)C)c4)c(I)cc23)c1- InChIKey
OHFMWQASWLVSIO-UHFFFAOYSA-N- Molecular formula
- C26H23IN4O3S
- Average molar mass
- 598.5 g/mol
Names & identifiers
- Preferred name
- 7-({3-[(Dimethylamino)carbonyl]phenyl}thio)-6-iodo-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide
- IUPAC
- 7-[3-(dimethylcarbamoyl)phenyl]sulfanyl-6-iodo-4-(3-methoxyanilino)quinoline-3-carboxamide
Names & synonyms
SCHEMBL4267149OHFMWQASWLVSIO-UHFFFAOYSA-N7-({3-[(Dimethylamino)carbonyl]phenyl}thio)-6-iodo-4-{[3-(methyloxy)phenyl]amino}-3-quinolinecarboxamide
Database identifiers
- PubChem CID
- 57763286
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 743
Related reactions
4 records
Compound notes
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