5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-7-ylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one

HCID 46205296
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Basic information

Standard SMILES
COc1ccc(C2=NN(C3CCN(C(=O)c4ccc5cccnc5c4)CC3)C(=O)C2(C)C)cc1OC
InChIKey
XGTUSDHMVCGASP-UHFFFAOYSA-N
Molecular formula
C28H30N4O4
Average molar mass
486.6 g/mol
Monoisotopic mass
486.22670545

Names & identifiers

Preferred name
5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-7-ylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one
IUPAC
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinoline-7-carbonyl)piperidin-4-yl]pyrazol-3-one

Names & synonyms

SCHEMBL2321476XGTUSDHMVCGASP-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-7-ylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one

Database identifiers

PubChem CID
46205296

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
84.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
36

Related reactions

3 records
New reaction record

Linked notes

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5-(3,4-Dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinolin-7-ylcarbonyl)piperidin-4-yl]-2,4-dihydro-3H-pyrazol-3-one (HCID 46205296)｜Huagongshe