3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one

C17H9ClFN3O2 — CID 135636040

IUPAC3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one
SMILESO=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H9ClFN3O2/c18-10-3-1-2-9(6-10)16-21-17(24-22-16)13-8-20-14-5-4-11(19)7-12(14)15(13)23/h1-8H,(H,20,23)
InChIKeyOOCBXPGOHAOENT-UHFFFAOYSA-N
MW341.73 g/mol
LogP4.04
Rot. Bonds2

About 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one

3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one (PubChem CID 135636040) has the molecular formula C17H9ClFN3O2 and a molecular weight of 341.73 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one
PubChem CID135636040
Molecular FormulaC17H9ClFN3O2
Molecular Weight341.73 g/mol
Exact Mass341.04
IUPAC Name3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one
SMILESO=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[nH]c2ccc(F)cc12
InChIInChI=1S/C17H9ClFN3O2/c18-10-3-1-2-9(6-10)16-21-17(24-22-16)13-8-20-14-5-4-11(19)7-12(14)15(13)23/h1-8H,(H,20,23)
InChIKeyOOCBXPGOHAOENT-UHFFFAOYSA-N
XLogP4.04
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.73
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one (CID 135636040) is 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one is O=c1c(-c2nc(-c3cccc(Cl)c3)no2)c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is OOCBXPGOHAOENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClFN3O2/c18-10-3-1-2-9(6-10)16-21-17(24-22-16)13-8-20-14-5-4-11(19)7-12(14)15(13)23/h1-8H,(H,20,23).
What are the key properties of 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one?
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 341.73 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 135636040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).