N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide

C24H24N4O2S — CID 46304424

About N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide

N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide (PubChem CID 46304424) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide
• PubChem CID: 46304424
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C(=O)C(C)Sc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1
• InChI: InChI=1S/C24H24N4O2S/c1-13-10-15(3)22-20(11-13)14(2)12-21-26-27-24(28(21)22)31-16(4)23(30)18-6-8-19(9-7-18)25-17(5)29/h6-12,16H,1-5H3,(H,25,29)
• InChIKey: QIGZUUWQXBDRKF-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 76.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide?

The IUPAC name of N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide (CID 46304424) is N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide?

The canonical SMILES for N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)Sc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1.

What is the InChIKey of N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide?

The InChIKey is QIGZUUWQXBDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-13-10-15(3)22-20(11-13)14(2)12-21-26-27-24(28(21)22)31-16(4)23(30)18-6-8-19(9-7-18)25-17(5)29/h6-12,16H,1-5H3,(H,25,29).

What are the key properties of N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide?

N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide has a molecular weight of 432.55 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(5,7,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]phenyl]acetamide is sourced from PubChem (CID 46304424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).