6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one

C24H24N4O4 — CID 53065252

IUPAC6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)ccc21
InChIInChI=1S/C24H24N4O4/c1-5-12-28-19-9-8-17(14-18(19)25-15(2)24(28)29)23-26-22(32-27-23)11-7-16-6-10-20(30-3)21(13-16)31-4/h6-11,13-14H,5,12H2,1-4H3/b11-7+
InChIKeyDHZSLIMPDOYEQJ-YRNVUSSQSA-N
MW432.48 g/mol
LogP4.35
Rot. Bonds7

About 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one

6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one (PubChem CID 53065252) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one
PubChem CID53065252
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)ccc21
InChIInChI=1S/C24H24N4O4/c1-5-12-28-19-9-8-17(14-18(19)25-15(2)24(28)29)23-26-22(32-27-23)11-7-16-6-10-20(30-3)21(13-16)31-4/h6-11,13-14H,5,12H2,1-4H3/b11-7+
InChIKeyDHZSLIMPDOYEQJ-YRNVUSSQSA-N
XLogP4.35
TPSA92.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-1-propyl-6-[5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
CID 53065299
6-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 71842821
6-[5-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
CID 53065152
5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 71842801
3-methyl-6-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]-1-propylquinoxalin-2-one
CID 53065236
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 2994581
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 53041991
5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-octyl-1,2,4-oxadiazole
CID 53374537
N-[1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl]furan-2-carboxamide
CID 53065231
N-[2-methyl-1-[3-(3-methyl-2-oxo-1-propylquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 53065232
3-[5-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53031731
1-(azepan-1-yl)-3-[5-[5-[2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]benzotriazol-1-yl]propan-1-one
CID 71843352

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one?
The IUPAC name of 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one (CID 53065252) is 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one.
What is the SMILES notation for 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one?
The canonical SMILES for 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one is CCCn1c(=O)c(C)nc2cc(-c3noc(/C=C/c4ccc(OC)c(OC)c4)n3)ccc21.
What is the InChIKey of 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one?
The InChIKey is DHZSLIMPDOYEQJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-5-12-28-19-9-8-17(14-18(19)25-15(2)24(28)29)23-26-22(32-27-23)11-7-16-6-10-20(30-3)21(13-16)31-4/h6-11,13-14H,5,12H2,1-4H3/b11-7+.
What are the key properties of 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one?
6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one has a molecular weight of 432.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one is sourced from PubChem (CID 53065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).