Basic information
- Standard SMILES
COc1ccc(Cn2c(=O)c3cnn(C4CCOCC4)c3c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c(OC)c1- InChIKey
COHNNOKWYXEXLF-UHFFFAOYSA-N- Molecular formula
- C30H36BN3O6
- Average molar mass
- 545.4 g/mol
Names & identifiers
- Preferred name
- 5-(2,4-dimethoxybenzyl)-1-(tetrahydro-2H-pyran-4-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one
- IUPAC
- 5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-c]quinolin-4-one
Names & synonyms
SCHEMBL14853166COHNNOKWYXEXLF-UHFFFAOYSA-N5-(2,4-dimethoxybenzyl)-1-(tetrahydro-2H-pyran-4-yl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[4,3-c]quinolin-4(5H)-one
Database identifiers
- PubChem CID
- 86686360
Properties
Computed structural properties
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 900
Related reactions
4 records
Compound notes
Loading…