2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone

C20H24N4O2S — CID 1172134

About 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone

2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone (PubChem CID 1172134) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
• PubChem CID: 1172134
• Molecular Formula: C20H24N4O2S
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.16
• IUPAC Name: 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
• SMILES: COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC[C@@H](C)C3)n12
• InChI: InChI=1S/C20H24N4O2S/c1-13-5-4-8-23(11-13)18(25)12-27-20-22-21-19-14(2)9-15-10-16(26-3)6-7-17(15)24(19)20/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3/t13-/m1/s1
• InChIKey: OVZDFSFAQDYGAL-CYBMUJFWSA-N
• XLogP: 3.55
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?

The IUPAC name of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone (CID 1172134) is 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone.

What is the SMILES notation for 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?

The canonical SMILES for 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone is COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCC[C@@H](C)C3)n12.

What is the InChIKey of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?

The InChIKey is OVZDFSFAQDYGAL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-13-5-4-8-23(11-13)18(25)12-27-20-22-21-19-14(2)9-15-10-16(26-3)6-7-17(15)24(19)20/h6-7,9-10,13H,4-5,8,11-12H2,1-3H3/t13-/m1/s1.

What are the key properties of 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone?

2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 384.51 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7-methoxy-4-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 1172134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).