Basic information
- Standard SMILES
COc1ncc(-c2cn(S(=O)(=O)c3cccc4cccnc34)c3ncccc23)cn1- InChIKey
GWFJRWCZLMYOBG-UHFFFAOYSA-N- Molecular formula
- C21H15N5O3S
- Average molar mass
- 417.4 g/mol
Names & identifiers
- Preferred name
- 8-[3-(2-Methoxy-pyrimidin-5-yl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline
- IUPAC
- 8-[3-(2-methoxypyrimidin-5-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylquinoline
Names & synonyms
SCHEMBL4343820GWFJRWCZLMYOBG-UHFFFAOYSA-N8-[3-(2-methoxy-pyrimidin-5-yl)-pyrrolo[2,3-b]pyridine-1-sulfonyl]-quinoline
Database identifiers
- PubChem CID
- 57891739
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 693
Related reactions
1 records
Compound notes
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