Basic information
- Standard SMILES
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(C#CCCCNCC(O[Si](C)(C)C(C)(C)C)c6ccc(O)c7[nH]c(=O)ccc67)cc5)c4)cc23)c1- InChIKey
NHNLYZXFTBSNES-UHFFFAOYSA-N- Molecular formula
- C53H56N6O8SSi
- Average molar mass
- 965.2 g/mol
Names & identifiers
- Preferred name
- 6-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
- IUPAC
- 6-[3-[[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]carbamoyl]phenyl]sulfonyl-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
Names & synonyms
SCHEMBL1311746
Database identifiers
- PubChem CID
- 87226506
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 69
- Formal charge
- 0
- Complexity
- 1,970
Related reactions
2 records
Compound notes
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