2-(3-ethoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
Basic information
- CAS
492429-54-6- Standard SMILES
CCOc1cccc(-c2cc(C(=O)Nc3nnc(C(C)(C)CC)s3)c3ccccc3n2)c1- InChIKey
OQKWEFOKBVYOJO-UHFFFAOYSA-N- Molecular formula
- C25H26N4O2S
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.17764726
Names & identifiers
- Preferred name
- 2-(3-ethoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
- IUPAC
- 2-(3-ethoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamide
- English name
- 2-(3-ethoxyphenyl)-N-(5-tert-pentyl-1,3,4-thiadiazol-2-yl)-4-quinolinecarboxamide
- Molecular formula
- C25H26N4O2S
- Molecular weight
- 446.56454
Names & synonyms
492429-54-64-Quinolinecarboxamide, N-[5-(1,1-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(3-ethoxyphenyl)-AK-968/41016784DTXSID501122416AKOS0038847802-(3-ethoxyphenyl)-N-[5-(2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]quinoline-4-carboxamideN-[5-(1,1-Dimethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide2-(3-ethoxyphenyl)-N-(5-tert-pentyl-1,3,4-thiadiazol-2-yl)-4-quinolinecarboxamide
Database identifiers
- CAS
492429-54-6- PubChem CID
- 4424932
- DTXSID
DTXSID501122416
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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