2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide

C18H22N4O2S — CID 16876596

About 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide

2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 16876596) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

• Compound Name: 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide
• PubChem CID: 16876596
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide
• SMILES: COc1cccc2c(C)cc3nnc(SCC(=O)NCC(C)C)n3c12
• InChI: InChI=1S/C18H22N4O2S/c1-11(2)9-19-16(23)10-25-18-21-20-15-8-12(3)13-6-5-7-14(24-4)17(13)22(15)18/h5-8,11H,9-10H2,1-4H3,(H,19,23)
• InChIKey: ZNKSCMCQRBYNAW-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide?

The IUPAC name of 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide (CID 16876596) is 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide.

What is the SMILES notation for 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide?

The canonical SMILES for 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide is COc1cccc2c(C)cc3nnc(SCC(=O)NCC(C)C)n3c12.

What is the InChIKey of 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide?

The InChIKey is ZNKSCMCQRBYNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-11(2)9-19-16(23)10-25-18-21-20-15-8-12(3)13-6-5-7-14(24-4)17(13)22(15)18/h5-8,11H,9-10H2,1-4H3,(H,19,23).

What are the key properties of 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide?

2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 358.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(9-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 16876596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).