5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-8-ylsulfonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one

HCID 46202064

Basic information

Standard SMILES
COc1ccc(C2=NN(C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)C(=O)C2(C)C)cc1OC
InChIKey
NOCIFZJBCKWLGO-UHFFFAOYSA-N
Molecular formula
C27H30N4O5S
Average molar mass
522.6 g/mol
Monoisotopic mass
522.19369124

Names & identifiers

Preferred name
5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-8-ylsulfonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one
IUPAC
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one

Names & synonyms

SCHEMBL2328775NOCIFZJBCKWLGO-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-8-ylsulfonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one

Database identifiers

PubChem CID
46202064

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
110 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
37

Related reactions

3 records

Compound notes

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