8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C20H23FN4O2 — CID 72847572

IUPAC8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCC(C)c1noc(C2CCCN(Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1
InChIInChI=1S/C20H23FN4O2/c1-12(2)19-23-20(27-24-19)13-5-4-8-25(10-13)11-14-9-17(26)15-6-3-7-16(21)18(15)22-14/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,22,26)
InChIKeyIMYMASDLCHCTQI-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.55
Rot. Bonds4

About 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one

8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72847572) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72847572
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCC(C)c1noc(C2CCCN(Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1
InChIInChI=1S/C20H23FN4O2/c1-12(2)19-23-20(27-24-19)13-5-4-8-25(10-13)11-14-9-17(26)15-6-3-7-16(21)18(15)22-14/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,22,26)
InChIKeyIMYMASDLCHCTQI-UHFFFAOYSA-N
XLogP3.55
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 72847572) is 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one is CC(C)c1noc(C2CCCN(Cc3cc(=O)c4cccc(F)c4[nH]3)C2)n1.
What is the InChIKey of 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is IMYMASDLCHCTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12(2)19-23-20(27-24-19)13-5-4-8-25(10-13)11-14-9-17(26)15-6-3-7-16(21)18(15)22-14/h3,6-7,9,12-13H,4-5,8,10-11H2,1-2H3,(H,22,26).
What are the key properties of 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 370.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-[[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72847572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).