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

C21H19N3O2 — CID 51364418

IUPAC1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
SMILESCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H19N3O2/c1-4-24-12-17(19(25)16-11-14(3)8-9-18(16)24)21-22-20(23-26-21)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3
InChIKeyRSFRJGVURUKGRM-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.36
Rot. Bonds3

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

1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one (PubChem CID 51364418) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
PubChem CID51364418
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
SMILESCCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21
InChIInChI=1S/C21H19N3O2/c1-4-24-12-17(19(25)16-11-14(3)8-9-18(16)24)21-22-20(23-26-21)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3
InChIKeyRSFRJGVURUKGRM-UHFFFAOYSA-N
XLogP4.36
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-propylquinolin-4-one
CID 51364450
6-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-propylquinolin-4-one
CID 53087009
1-ethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 53086934
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
3-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-6-methyl-1-propylquinolin-4-one
CID 51364449
6-fluoro-1-methyl-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]quinolin-4-one
CID 29128652
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308
1-ethyl-3-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)-6-methylquinolin-4-one
CID 155528517
N-[(3-methoxyphenyl)methyl]-2-[7-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833394
N-(2,5-dimethylphenyl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 50833428
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The IUPAC name of 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one (CID 51364418) is 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one is CCn1cc(-c2nc(-c3cccc(C)c3)no2)c(=O)c2cc(C)ccc21.
What is the InChIKey of 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
The InChIKey is RSFRJGVURUKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-4-24-12-17(19(25)16-11-14(3)8-9-18(16)24)21-22-20(23-26-21)15-7-5-6-13(2)10-15/h5-12H,4H2,1-3H3.
What are the key properties of 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one?
1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one has a molecular weight of 345.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-4-one is sourced from PubChem (CID 51364418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).