8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C20H16N4O2S — CID 66505878

About 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505878) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

• Compound Name: 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• PubChem CID: 66505878
• Molecular Formula: C20H16N4O2S
• Molecular Weight: 376.44 g/mol
• Exact Mass: 376.10
• IUPAC Name: 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
• SMILES: COc1ccc(C2CC(=O)c3cnc4nc(-c5cccs5)nn4c3C2)cc1
• InChI: InChI=1S/C20H16N4O2S/c1-26-14-6-4-12(5-7-14)13-9-16-15(17(25)10-13)11-21-20-22-19(23-24(16)20)18-3-2-8-27-18/h2-8,11,13H,9-10H2,1H3
• InChIKey: MWMPHJFGNXSKCT-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 69.38 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.44
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The IUPAC name of 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505878) is 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

What is the SMILES notation for 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The canonical SMILES for 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is COc1ccc(C2CC(=O)c3cnc4nc(-c5cccs5)nn4c3C2)cc1.

What is the InChIKey of 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

The InChIKey is MWMPHJFGNXSKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-14-6-4-12(5-7-14)13-9-16-15(17(25)10-13)11-21-20-22-19(23-24(16)20)18-3-2-8-27-18/h2-8,11,13H,9-10H2,1H3.

What are the key properties of 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?

8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 376.44 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-methoxyphenyl)-2-thiophen-2-yl-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).