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

C18H12FN3O3 — CID 167998614

IUPAC6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCOc1ccc(-c2noc(C3C=Nc4ccc(F)cc4C3=O)n2)cc1
InChIInChI=1S/C18H12FN3O3/c1-24-12-5-2-10(3-6-12)17-21-18(25-22-17)14-9-20-15-7-4-11(19)8-13(15)16(14)23/h2-9,14H,1H3
InChIKeyXGPKXWYFCMMDRU-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.57
Rot. Bonds3

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

6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (PubChem CID 167998614) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
PubChem CID167998614
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCOc1ccc(-c2noc(C3C=Nc4ccc(F)cc4C3=O)n2)cc1
InChIInChI=1S/C18H12FN3O3/c1-24-12-5-2-10(3-6-12)17-21-18(25-22-17)14-9-20-15-7-4-11(19)8-13(15)16(14)23/h2-9,14H,1H3
InChIKeyXGPKXWYFCMMDRU-UHFFFAOYSA-N
XLogP3.57
TPSA77.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 167998990
3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one
CID 156591069
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 167997364
3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 156591265
5-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 171692030
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3H-pyridin-6-one
CID 178202177
(4-fluorophenyl)-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 4258624
(3-fluorophenyl)-[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 7236954
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-one
CID 106473823
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (CID 167998614) is 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is COc1ccc(-c2noc(C3C=Nc4ccc(F)cc4C3=O)n2)cc1.
What is the InChIKey of 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The InChIKey is XGPKXWYFCMMDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c1-24-12-5-2-10(3-6-12)17-21-18(25-22-17)14-9-20-15-7-4-11(19)8-13(15)16(14)23/h2-9,14H,1H3.
What are the key properties of 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one has a molecular weight of 337.31 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is sourced from PubChem (CID 167998614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).