Basic information
- Standard SMILES
Cc1noc(-c2cccc(-c3cc(C(C)(C)S(C)(=O)=O)cc4cccnc34)c2)n1- InChIKey
NRZOGEXPOPJFIB-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3S
- Average molar mass
- 407.5 g/mol
Names & identifiers
- Preferred name
- 6-(1-Methanesulfonyl-1-methyl-ethyl)-8-[3-(3-methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-quinoline
- IUPAC
- 3-methyl-5-[3-[6-(2-methylsulfonylpropan-2-yl)quinolin-8-yl]phenyl]-1,2,4-oxadiazole
Names & synonyms
SCHEMBL5257783NRZOGEXPOPJFIB-UHFFFAOYSA-N6-(1-Methanesulfonyl-1-methyl-ethyl)-8-[3-(3-methyl-[1,2,4]oxadiazol-5-yl)-phenyl]-quinoline
Database identifiers
- PubChem CID
- 9978744
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 677
Related reactions
1 records
Compound notes
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