9-Chloro-3-methyl-5-(1-phenylmethanesulfonyl-piperidin-3-yl)-5H-isoxazolo[4,3-c]quinolin-4-one

HCID 21963723
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Basic information

Standard SMILES
Cc1onc2c1c(=O)n(C1CCCN(S(=O)(=O)Cc3ccccc3)C1)c1cccc(Cl)c21
InChIKey
GSXVOGSKKVXVJJ-UHFFFAOYSA-N
Molecular formula
C23H22ClN3O4S
Average molar mass
472 g/mol

Names & identifiers

Preferred name
9-Chloro-3-methyl-5-(1-phenylmethanesulfonyl-piperidin-3-yl)-5H-isoxazolo[4,3-c]quinolin-4-one
IUPAC
5-(1-benzylsulfonylpiperidin-3-yl)-9-chloro-3-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one

Names & synonyms

SCHEMBL6067842GSXVOGSKKVXVJJ-UHFFFAOYSA-N9-Chloro-3-methyl-5-(1-phenylmethanesulfonyl-piperidin-3-yl)-5H-isoxazolo[4,3-c]quinolin-4-one

Database identifiers

PubChem CID
21963723

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
92.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
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Linked notes

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