2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole

C18H12FN3O2 — CID 45277104

IUPAC2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cnc4ccccc4c3)o2)c(F)c1
InChIInChI=1S/C18H12FN3O2/c1-23-13-6-7-14(15(19)9-13)18-22-21-17(24-18)12-8-11-4-2-3-5-16(11)20-10-12/h2-10H,1H3
InChIKeyOUYQJGBNVDCUFH-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole

2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole (PubChem CID 45277104) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole
PubChem CID45277104
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cnc4ccccc4c3)o2)c(F)c1
InChIInChI=1S/C18H12FN3O2/c1-23-13-6-7-14(15(19)9-13)18-22-21-17(24-18)12-8-11-4-2-3-5-16(11)20-10-12/h2-10H,1H3
InChIKeyOUYQJGBNVDCUFH-UHFFFAOYSA-N
XLogP4.10
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

PZ-II-029
CID 10426200
6-[5-[[4-Methoxy-3-(trifluoromethyl)benzyl]thio]-1,3,4-oxadiazol-2-yl]quinoline
CID 44590465
7-Methoxy-2-phenyl-2,5-dihydro-pyrazolo[4,3-c]quinolin-3-one
CID 10424361
9-methoxy-2-phenyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 10469516
2-(4-Methoxy-phenyl)-4-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-quinoline
CID 1151462
[7-Methoxy-2-(4-methoxy-d3-phenyl)-2,5-dihydro-3h-pyrazolo-[4,3-c]quinolin-3-one]
CID 124111361
4-methoxy-N'-(8-quinolinylmethylene)benzohydrazide
CID 6897109
7-methoxy-N-[(2-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 155550171
N-benzyl-7-methoxyquinoline-3-carboxamide
CID 155552285
7-methoxy-N-[(1-methylpyrazol-3-yl)methyl]quinoline-3-carboxamide
CID 155553534
2-(4-Methoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadiazole
CID 865615
7-Methoxyquinoline-3-carboxamide
CID 22030791

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole (CID 45277104) is 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cnc4ccccc4c3)o2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole?
The InChIKey is OUYQJGBNVDCUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c1-23-13-6-7-14(15(19)9-13)18-22-21-17(24-18)12-8-11-4-2-3-5-16(11)20-10-12/h2-10H,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole?
2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole has a molecular weight of 321.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-5-quinolin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 45277104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).