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

C19H14FN3O4 — CID 156591069

IUPAC3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one
SMILESCOc1cccc(-c2noc(C3C=Nc4ccc(F)cc4C3=O)n2)c1OC
InChIInChI=1S/C19H14FN3O4/c1-25-15-5-3-4-11(17(15)26-2)18-22-19(27-23-18)13-9-21-14-7-6-10(20)8-12(14)16(13)24/h3-9,13H,1-2H3
InChIKeyYXYPHXQZLPILOF-UHFFFAOYSA-N
MW367.34 g/mol
LogP3.58
Rot. Bonds4

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

3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one (PubChem CID 156591069) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one
PubChem CID156591069
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC Name3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one
SMILESCOc1cccc(-c2noc(C3C=Nc4ccc(F)cc4C3=O)n2)c1OC
InChIInChI=1S/C19H14FN3O4/c1-25-15-5-3-4-11(17(15)26-2)18-22-19(27-23-18)13-9-21-14-7-6-10(20)8-12(14)16(13)24/h3-9,13H,1-2H3
InChIKeyYXYPHXQZLPILOF-UHFFFAOYSA-N
XLogP3.58
TPSA86.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one?
The IUPAC name of 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one (CID 156591069) is 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one.
What is the SMILES notation for 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one?
The canonical SMILES for 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one is COc1cccc(-c2noc(C3C=Nc4ccc(F)cc4C3=O)n2)c1OC.
What is the InChIKey of 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one?
The InChIKey is YXYPHXQZLPILOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c1-25-15-5-3-4-11(17(15)26-2)18-22-19(27-23-18)13-9-21-14-7-6-10(20)8-12(14)16(13)24/h3-9,13H,1-2H3.
What are the key properties of 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one?
3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one has a molecular weight of 367.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one is sourced from PubChem (CID 156591069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).