6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one

C19H11F4N3O2 — CID 29128652

IUPAC6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
SMILESCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H11F4N3O2/c1-26-9-14(16(27)13-8-12(20)5-6-15(13)26)18-24-17(25-28-18)10-3-2-4-11(7-10)19(21,22)23/h2-9H,1H3
InChIKeyQPYGCTMGFSFOFL-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.41
Rot. Bonds2

About 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one

6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one (PubChem CID 29128652) has the molecular formula C19H11F4N3O2 and a molecular weight of 389.31 g/mol. Its IUPAC name is 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
PubChem CID29128652
Molecular FormulaC19H11F4N3O2
Molecular Weight389.31 g/mol
Exact Mass389.08
IUPAC Name6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
SMILESCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H11F4N3O2/c1-26-9-14(16(27)13-8-12(20)5-6-15(13)26)18-24-17(25-28-18)10-3-2-4-11(7-10)19(21,22)23/h2-9H,1H3
InChIKeyQPYGCTMGFSFOFL-UHFFFAOYSA-N
XLogP4.41
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364418
6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364450
2-(4-chlorophenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]isoquinolin-1-one
CID 51364376
6-methyl-1-propyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364452
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
1-(3-fluorophenyl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridazin-4-one
CID 50840776
5-[3-methyl-5-(trifluoromethyl)-1,2-oxazol-4-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2740227
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53034197
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-1H-quinolin-4-one
CID 135636040
6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
CID 53087009
2-(4-methylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]phthalazin-1-one
CID 50928283

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The IUPAC name of 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one (CID 29128652) is 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one.
What is the SMILES notation for 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The canonical SMILES for 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one is Cn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The InChIKey is QPYGCTMGFSFOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O2/c1-26-9-14(16(27)13-8-12(20)5-6-15(13)26)18-24-17(25-28-18)10-3-2-4-11(7-10)19(21,22)23/h2-9H,1H3.
What are the key properties of 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one?
6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one has a molecular weight of 389.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one is sourced from PubChem (CID 29128652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).