2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

C22H20N4O2S2 — CID 112783675

About 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide

2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 112783675) has the molecular formula C22H20N4O2S2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
• PubChem CID: 112783675
• Molecular Formula: C22H20N4O2S2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.10
• IUPAC Name: 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide
• SMILES: Cc1ccnc(-n2c(SCC(=O)NC(C)c3cccs3)nc3ccccc3c2=O)c1
• InChI: InChI=1S/C22H20N4O2S2/c1-14-9-10-23-19(12-14)26-21(28)16-6-3-4-7-17(16)25-22(26)30-13-20(27)24-15(2)18-8-5-11-29-18/h3-12,15H,13H2,1-2H3,(H,24,27)
• InChIKey: IVZOOIHZTLPAAZ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?

The IUPAC name of 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide (CID 112783675) is 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide.

What is the SMILES notation for 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?

The canonical SMILES for 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is Cc1ccnc(-n2c(SCC(=O)NC(C)c3cccs3)nc3ccccc3c2=O)c1.

What is the InChIKey of 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?

The InChIKey is IVZOOIHZTLPAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S2/c1-14-9-10-23-19(12-14)26-21(28)16-6-3-4-7-17(16)25-22(26)30-13-20(27)24-15(2)18-8-5-11-29-18/h3-12,15H,13H2,1-2H3,(H,24,27).

What are the key properties of 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide?

2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 436.56 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 112783675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).