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

HCID 86686360

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

Related reactions

4 records

Compound notes

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