2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C22H19ClN4O4S — CID 24594464

About 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 24594464) has the molecular formula C22H19ClN4O4S and a molecular weight of 470.94 g/mol. Its IUPAC name is 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
• PubChem CID: 24594464
• Molecular Formula: C22H19ClN4O4S
• Molecular Weight: 470.94 g/mol
• Exact Mass: 470.08
• IUPAC Name: 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
• SMILES: COc1ccc(C)cc1-n1c(SCC(=O)Nc2cc(C)no2)nc2cc(Cl)ccc2c1=O
• InChI: InChI=1S/C22H19ClN4O4S/c1-12-4-7-18(30-3)17(8-12)27-21(29)15-6-5-14(23)10-16(15)24-22(27)32-11-19(28)25-20-9-13(2)26-31-20/h4-10H,11H2,1-3H3,(H,25,28)
• InChIKey: HBSAMDOXXFJYKX-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 99.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.94
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?

The IUPAC name of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 24594464) is 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

What is the SMILES notation for 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?

The canonical SMILES for 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is COc1ccc(C)cc1-n1c(SCC(=O)Nc2cc(C)no2)nc2cc(Cl)ccc2c1=O.

What is the InChIKey of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?

The InChIKey is HBSAMDOXXFJYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O4S/c1-12-4-7-18(30-3)17(8-12)27-21(29)15-6-5-14(23)10-16(15)24-22(27)32-11-19(28)25-20-9-13(2)26-31-20/h4-10H,11H2,1-3H3,(H,25,28).

What are the key properties of 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide?

2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 470.94 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 24594464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).