2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

C21H18N6OS — CID 28527293

About 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide

2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 28527293) has the molecular formula C21H18N6OS and a molecular weight of 402.48 g/mol. Its IUPAC name is 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 28527293
• Molecular Formula: C21H18N6OS
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.13
• IUPAC Name: 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
• SMILES: CC(C)c1nnc(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)s1
• InChI: InChI=1S/C21H18N6OS/c1-12(2)20-25-26-21(29-20)24-17(28)11-27-16-10-6-3-7-13(16)18-19(27)23-15-9-5-4-8-14(15)22-18/h3-10,12H,11H2,1-2H3,(H,24,26,28)
• InChIKey: RGZNQWBPGFDBGV-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide (CID 28527293) is 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is CC(C)c1nnc(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)s1.

What is the InChIKey of 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is RGZNQWBPGFDBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6OS/c1-12(2)20-25-26-21(29-20)24-17(28)11-27-16-10-6-3-7-13(16)18-19(27)23-15-9-5-4-8-14(15)22-18/h3-10,12H,11H2,1-2H3,(H,24,26,28).

What are the key properties of 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide?

2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 402.48 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-indolo[3,2-b]quinoxalin-6-yl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 28527293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).