2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C26H24ClN3O2S — CID 46925240

About 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46925240) has the molecular formula C26H24ClN3O2S and a molecular weight of 478.02 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 46925240
• Molecular Formula: C26H24ClN3O2S
• Molecular Weight: 478.02 g/mol
• Exact Mass: 477.13
• IUPAC Name: 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c(C)c1
• InChI: InChI=1S/C26H24ClN3O2S/c1-16-12-17(2)24(18(3)13-16)29-23(31)15-33-26-28-22-7-5-4-6-21(22)25(32)30(26)14-19-8-10-20(27)11-9-19/h4-13H,14-15H2,1-3H3,(H,29,31)
• InChIKey: RQQQHOKNBSNCTG-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.02
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 46925240) is 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c(C)c1.

What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is RQQQHOKNBSNCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O2S/c1-16-12-17(2)24(18(3)13-16)29-23(31)15-33-26-28-22-7-5-4-6-21(22)25(32)30(26)14-19-8-10-20(27)11-9-19/h4-13H,14-15H2,1-3H3,(H,29,31).

What are the key properties of 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?

2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 478.02 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46925240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).