2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide

C24H22ClN3O3S — CID 46811148

About 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide

2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide (PubChem CID 46811148) has the molecular formula C24H22ClN3O3S and a molecular weight of 467.98 g/mol. Its IUPAC name is 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
• PubChem CID: 46811148
• Molecular Formula: C24H22ClN3O3S
• Molecular Weight: 467.98 g/mol
• Exact Mass: 467.11
• IUPAC Name: 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide
• SMILES: CC(c1ccccc1)N(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1
• InChI: InChI=1S/C24H22ClN3O3S/c1-16(17-7-4-3-5-8-17)27(2)22(29)15-32-24-26-21-13-18(25)10-11-20(21)23(30)28(24)14-19-9-6-12-31-19/h3-13,16H,14-15H2,1-2H3
• InChIKey: QDAJKNFYMPRKEO-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 68.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.98
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?

The IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide (CID 46811148) is 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide.

What is the SMILES notation for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?

The canonical SMILES for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide is CC(c1ccccc1)N(C)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1.

What is the InChIKey of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?

The InChIKey is QDAJKNFYMPRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3S/c1-16(17-7-4-3-5-8-17)27(2)22(29)15-32-24-26-21-13-18(25)10-11-20(21)23(30)28(24)14-19-9-6-12-31-19/h3-13,16H,14-15H2,1-2H3.

What are the key properties of 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide?

2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide has a molecular weight of 467.98 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methyl-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 46811148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).