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

C20H17N3O2 — CID 53086934

IUPAC1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
SMILESCCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21
InChIInChI=1S/C20H17N3O2/c1-3-23-12-16(18(24)15-6-4-5-7-17(15)23)20-21-19(22-25-20)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyXQWPGUBZQSLEEN-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.05
Rot. Bonds3

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

1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one (PubChem CID 53086934) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
PubChem CID53086934
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
SMILESCCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21
InChIInChI=1S/C20H17N3O2/c1-3-23-12-16(18(24)15-6-4-5-7-17(15)23)20-21-19(22-25-20)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3
InChIKeyXQWPGUBZQSLEEN-UHFFFAOYSA-N
XLogP4.05
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364430
1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364418
3-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364435
6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
CID 53087009
6-methyl-1-propyl-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 51364452
1-[(2,5-dimethylphenyl)methyl]-6-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 22424595
6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364450
1-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-4-one
CID 53087001
N-(2-ethylphenyl)-2-[7-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833323
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
CID 51364449
5-(2-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 19658008
1-ethyl-3-quinolin-2-ylquinolin-4-one
CID 11277995

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The IUPAC name of 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one (CID 53086934) is 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one.
What is the SMILES notation for 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The canonical SMILES for 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one is CCn1cc(-c2nc(-c3ccc(C)cc3)no2)c(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The InChIKey is XQWPGUBZQSLEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-3-23-12-16(18(24)15-6-4-5-7-17(15)23)20-21-19(22-25-20)14-10-8-13(2)9-11-14/h4-12H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one is sourced from PubChem (CID 53086934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).