2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

C23H15Cl4N3O2S — CID 23994674

About 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide

2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 23994674) has the molecular formula C23H15Cl4N3O2S and a molecular weight of 539.27 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
• PubChem CID: 23994674
• Molecular Formula: C23H15Cl4N3O2S
• Molecular Weight: 539.27 g/mol
• Exact Mass: 536.96
• IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
• SMILES: Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc2c1=O
• InChI: InChI=1S/C23H15Cl4N3O2S/c1-12-15(25)6-4-8-19(12)30-22(32)14-5-2-3-7-18(14)28-23(30)33-11-20(31)29-21-16(26)9-13(24)10-17(21)27/h2-10H,11H2,1H3,(H,29,31)
• InChIKey: ZBWLRYBTTDOACZ-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.27
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?

The IUPAC name of 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide (CID 23994674) is 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide.

What is the SMILES notation for 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?

The canonical SMILES for 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is Cc1c(Cl)cccc1-n1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc2c1=O.

What is the InChIKey of 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?

The InChIKey is ZBWLRYBTTDOACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl4N3O2S/c1-12-15(25)6-4-8-19(12)30-22(32)14-5-2-3-7-18(14)28-23(30)33-11-20(31)29-21-16(26)9-13(24)10-17(21)27/h2-10H,11H2,1H3,(H,29,31).

What are the key properties of 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide?

2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 539.27 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 23994674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).