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

C18H12FN3O2 — CID 940950

IUPAC3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(-c3noc(-c4ccccc4F)n3)c(=O)[nH]c12
InChIInChI=1S/C18H12FN3O2/c1-10-5-4-6-11-9-13(17(23)20-15(10)11)16-21-18(24-22-16)12-7-2-3-8-14(12)19/h2-9H,1H3,(H,20,23)
InChIKeyMNBCYAKDQZCRAD-UHFFFAOYSA-N
MW321.31 g/mol
LogP3.69
Rot. Bonds2

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

3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one (PubChem CID 940950) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one
PubChem CID940950
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one
SMILESCc1cccc2cc(-c3noc(-c4ccccc4F)n3)c(=O)[nH]c12
InChIInChI=1S/C18H12FN3O2/c1-10-5-4-6-11-9-13(17(23)20-15(10)11)16-21-18(24-22-16)12-7-2-3-8-14(12)19/h2-9H,1H3,(H,20,23)
InChIKeyMNBCYAKDQZCRAD-UHFFFAOYSA-N
XLogP3.69
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 135907619
6-methoxy-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1H-quinolin-2-one
CID 939351
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
N-ethyl-3-[3-(8-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpropanamide
CID 135970399
4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]methanediol
CID 123369622
3-[[(2-fluorophenyl)methylamino]methyl]-8-methyl-1H-quinolin-2-one
CID 18525037
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
5-[5-(2-fluoro-6-methylphenyl)-1,2,4-oxadiazol-3-yl]-2,4-dimethylbenzoic acid
CID 158213305
[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamic acid
CID 91226224

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one (CID 940950) is 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one is Cc1cccc2cc(-c3noc(-c4ccccc4F)n3)c(=O)[nH]c12.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one?
The InChIKey is MNBCYAKDQZCRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c1-10-5-4-6-11-9-13(17(23)20-15(10)11)16-21-18(24-22-16)12-7-2-3-8-14(12)19/h2-9H,1H3,(H,20,23).
What are the key properties of 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one?
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one has a molecular weight of 321.31 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-8-methyl-1H-quinolin-2-one is sourced from PubChem (CID 940950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).