2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide

C24H26N4O2S — CID 55309139

About 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide

2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide (PubChem CID 55309139) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide.

Molecular Properties

• Compound Name: 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
• PubChem CID: 55309139
• Molecular Formula: C24H26N4O2S
• Molecular Weight: 434.57 g/mol
• Exact Mass: 434.18
• IUPAC Name: 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
• SMILES: COc1ccc2c(C)cc3nnc(SC(C)C(=O)NCC(C)c4ccccc4)n3c2c1
• InChI: InChI=1S/C24H26N4O2S/c1-15-12-22-26-27-24(28(22)21-13-19(30-4)10-11-20(15)21)31-17(3)23(29)25-14-16(2)18-8-6-5-7-9-18/h5-13,16-17H,14H2,1-4H3,(H,25,29)
• InChIKey: DJASZUVXOJXWJP-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.57
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?

The IUPAC name of 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide (CID 55309139) is 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide.

What is the SMILES notation for 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?

The canonical SMILES for 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide is COc1ccc2c(C)cc3nnc(SC(C)C(=O)NCC(C)c4ccccc4)n3c2c1.

What is the InChIKey of 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?

The InChIKey is DJASZUVXOJXWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-15-12-22-26-27-24(28(22)21-13-19(30-4)10-11-20(15)21)31-17(3)23(29)25-14-16(2)18-8-6-5-7-9-18/h5-13,16-17H,14H2,1-4H3,(H,25,29).

What are the key properties of 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide?

2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide has a molecular weight of 434.57 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(2-phenylpropyl)propanamide is sourced from PubChem (CID 55309139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).