2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

C20H19FN6O2S — CID 55576157

About 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (PubChem CID 55576157) has the molecular formula C20H19FN6O2S and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
• PubChem CID: 55576157
• Molecular Formula: C20H19FN6O2S
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.13
• IUPAC Name: 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
• SMILES: CSCCC(NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1nnc2ccccn12
• InChI: InChI=1S/C20H19FN6O2S/c1-30-9-7-16(19-25-24-17-4-2-3-8-27(17)19)23-18(28)11-26-12-22-15-6-5-13(21)10-14(15)20(26)29/h2-6,8,10,12,16H,7,9,11H2,1H3,(H,23,28)
• InChIKey: BWBSWJXOVGSJIV-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?

The IUPAC name of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide (CID 55576157) is 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide.

What is the SMILES notation for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?

The canonical SMILES for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is CSCCC(NC(=O)Cn1cnc2ccc(F)cc2c1=O)c1nnc2ccccn12.

What is the InChIKey of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?

The InChIKey is BWBSWJXOVGSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2S/c1-30-9-7-16(19-25-24-17-4-2-3-8-27(17)19)23-18(28)11-26-12-22-15-6-5-13(21)10-14(15)20(26)29/h2-6,8,10,12,16H,7,9,11H2,1H3,(H,23,28).

What are the key properties of 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide?

2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide has a molecular weight of 426.48 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide is sourced from PubChem (CID 55576157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).