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

C18H12FN3O3 — CID 167998990

IUPAC6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCOc1ccccc1-c1noc(C2C=Nc3ccc(F)cc3C2=O)n1
InChIInChI=1S/C18H12FN3O3/c1-24-15-5-3-2-4-11(15)17-21-18(25-22-17)13-9-20-14-7-6-10(19)8-12(14)16(13)23/h2-9,13H,1H3
InChIKeyZSAAPFJMDSWCQA-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.57
Rot. Bonds3

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

6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (PubChem CID 167998990) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
PubChem CID167998990
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCOc1ccccc1-c1noc(C2C=Nc3ccc(F)cc3C2=O)n1
InChIInChI=1S/C18H12FN3O3/c1-24-15-5-3-2-4-11(15)17-21-18(25-22-17)13-9-20-14-7-6-10(19)8-12(14)16(13)23/h2-9,13H,1H3
InChIKeyZSAAPFJMDSWCQA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The IUPAC name of 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (CID 167998990) is 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The canonical SMILES for 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is COc1ccccc1-c1noc(C2C=Nc3ccc(F)cc3C2=O)n1.
What is the InChIKey of 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The InChIKey is ZSAAPFJMDSWCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c1-24-15-5-3-2-4-11(15)17-21-18(25-22-17)13-9-20-14-7-6-10(19)8-12(14)16(13)23/h2-9,13H,1H3.
What are the key properties of 6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
6-fluoro-3-[3-(2-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-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is sourced from PubChem (CID 167998990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).