9-Chloro-3-methyl-5-{1-[2-(pyridin-3-yloxy)-acetyl]-piperidin-3-yl}-5H-isoxazolo[4,3-c]quinolin-4-one

HCID 21963699
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Basic information

Standard SMILES
Cc1onc2c1c(=O)n(C1CCCN(C(=O)COc3cccnc3)C1)c1cccc(Cl)c21
InChIKey
DOELYNBYFAUUMC-UHFFFAOYSA-N
Molecular formula
C23H21ClN4O4
Average molar mass
452.9 g/mol
Monoisotopic mass
452.1251329

Names & identifiers

Preferred name
9-Chloro-3-methyl-5-{1-[2-(pyridin-3-yloxy)-acetyl]-piperidin-3-yl}-5H-isoxazolo[4,3-c]quinolin-4-one
IUPAC
9-chloro-3-methyl-5-[1-(2-pyridin-3-yloxyacetyl)piperidin-3-yl]-[1,2]oxazolo[4,3-c]quinolin-4-one

Names & synonyms

SCHEMBL6067924DOELYNBYFAUUMC-UHFFFAOYSA-N9-Chloro-3-methyl-5-{1-[2-(pyridin-3-yloxy)-acetyl]-piperidin-3-yl}-5H-isoxazolo[4,3-c]quinolin-4-one

Database identifiers

PubChem CID
21963699

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
88.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
New reaction record

Linked notes

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