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

C18H13N3O2 — CID 167997364

IUPAC3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCc1ccc(-c2noc(C3C=Nc4ccccc4C3=O)n2)cc1
InChIInChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)17-20-18(23-21-17)14-10-19-15-5-3-2-4-13(15)16(14)22/h2-10,14H,1H3
InChIKeyUCBWCVWEAMFHKY-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.73
Rot. Bonds2

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

3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (PubChem CID 167997364) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
PubChem CID167997364
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
SMILESCc1ccc(-c2noc(C3C=Nc4ccccc4C3=O)n2)cc1
InChIInChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)17-20-18(23-21-17)14-10-19-15-5-3-2-4-13(15)16(14)22/h2-10,14H,1H3
InChIKeyUCBWCVWEAMFHKY-UHFFFAOYSA-N
XLogP3.73
TPSA68.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 156591265
6-fluoro-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 167998614
6-fluoro-3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one
CID 167998990
3-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-fluoro-3H-quinolin-4-one
CID 156591069
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17015658
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
5-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-oxazolidin-2-one
CID 126840269
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
1-methyl-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazolidin-2-one
CID 126837717
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
2-[2-phenyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aziridin-1-yl]isoindole-1,3-dione
CID 169409659

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The IUPAC name of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one (CID 167997364) is 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one.
What is the SMILES notation for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The canonical SMILES for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is Cc1ccc(-c2noc(C3C=Nc4ccccc4C3=O)n2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
The InChIKey is UCBWCVWEAMFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c1-11-6-8-12(9-7-11)17-20-18(23-21-17)14-10-19-15-5-3-2-4-13(15)16(14)22/h2-10,14H,1H3.
What are the key properties of 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one?
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one has a molecular weight of 303.32 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3H-quinolin-4-one is sourced from PubChem (CID 167997364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).