Basic information
- Standard SMILES
Cc1cc(COc2ccc(NC(=O)[C@H]3NCC4(CC4)C[C@@H]3C(=O)OC(C)(C)C)cc2)c2ccccc2n1- InChIKey
CGMSJTNQTVVWSP-AHWVRZQESA-N- Molecular formula
- C30H35N3O4
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.26275661
Names & identifiers
- Preferred name
- tert-butyl (6S,7S)-6-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}amino)carbonyl]-5-azaspiro[2.5]octane-7-carboxylate
- IUPAC
- tert-butyl (6S,7S)-6-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbamoyl]-5-azaspiro[2.5]octane-7-carboxylate
Names & synonyms
SCHEMBL1365356CGMSJTNQTVVWSP-AHWVRZQESA-Ntert-butyl (6S,7S) -6-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}amino)carbonyl]-5-azaspiro[2.5]octane-7-carboxylatetert-butyl (6S,7S)-6-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}amino)carbonyl]-5-azaspiro[2.5]octane-7-carboxylatetert-butyl(6S,7S)-6-[({4-[(2-methylquinolin-4-yl)methoxy]phenyl}amino)carbonyl]-5-azaspiro[2.5]octane-7-carboxylate
Database identifiers
- PubChem CID
- 67006804
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Related reactions
7 records
Compound notes
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