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

C18H11F2N3O2 — CID 166457858

IUPAC3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C18H11F2N3O2/c19-12-5-3-6-13(20)16(12)18-23-22-15(25-18)9-11-8-10-4-1-2-7-14(10)21-17(11)24/h1-8H,9H2,(H,21,24)
InChIKeyYVCVTGSOXXEGCU-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.45
Rot. Bonds3

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

3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one (PubChem CID 166457858) has the molecular formula C18H11F2N3O2 and a molecular weight of 339.30 g/mol. Its IUPAC name is 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
PubChem CID166457858
Molecular FormulaC18H11F2N3O2
Molecular Weight339.30 g/mol
Exact Mass339.08
IUPAC Name3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1nnc(-c2c(F)cccc2F)o1
InChIInChI=1S/C18H11F2N3O2/c19-12-5-3-6-13(20)16(12)18-23-22-15(25-18)9-11-8-10-4-1-2-7-14(10)21-17(11)24/h1-8H,9H2,(H,21,24)
InChIKeyYVCVTGSOXXEGCU-UHFFFAOYSA-N
XLogP3.45
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one (CID 166457858) is 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1Cc1nnc(-c2c(F)cccc2F)o1.
What is the InChIKey of 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
The InChIKey is YVCVTGSOXXEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N3O2/c19-12-5-3-6-13(20)16(12)18-23-22-15(25-18)9-11-8-10-4-1-2-7-14(10)21-17(11)24/h1-8H,9H2,(H,21,24).
What are the key properties of 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one?
3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one has a molecular weight of 339.30 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,6-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 166457858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).