7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione

C18H16N4O3S — CID 53065530

IUPAC7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
SMILESCCCn1c(=O)c(=O)[nH]c2cc(-c3noc(-c4sccc4C)n3)ccc21
InChIInChI=1S/C18H16N4O3S/c1-3-7-22-13-5-4-11(9-12(13)19-16(23)18(22)24)15-20-17(25-21-15)14-10(2)6-8-26-14/h4-6,8-9H,3,7H2,1-2H3,(H,19,23)
InChIKeyPZIXAPWFXBXBPI-UHFFFAOYSA-N
MW368.42 g/mol
LogP3.19
Rot. Bonds4

About 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione

7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione (PubChem CID 53065530) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
PubChem CID53065530
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC Name7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
SMILESCCCn1c(=O)c(=O)[nH]c2cc(-c3noc(-c4sccc4C)n3)ccc21
InChIInChI=1S/C18H16N4O3S/c1-3-7-22-13-5-4-11(9-12(13)19-16(23)18(22)24)15-20-17(25-21-15)14-10(2)6-8-26-14/h4-6,8-9H,3,7H2,1-2H3,(H,19,23)
InChIKeyPZIXAPWFXBXBPI-UHFFFAOYSA-N
XLogP3.19
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione (CID 53065530) is 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione is CCCn1c(=O)c(=O)[nH]c2cc(-c3noc(-c4sccc4C)n3)ccc21.
What is the InChIKey of 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione?
The InChIKey is PZIXAPWFXBXBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-3-7-22-13-5-4-11(9-12(13)19-16(23)18(22)24)15-20-17(25-21-15)14-10(2)6-8-26-14/h4-6,8-9H,3,7H2,1-2H3,(H,19,23).
What are the key properties of 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione?
7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione has a molecular weight of 368.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 53065530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).