3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one

C25H22N4O2S — CID 55324754

About 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one

3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 55324754) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

• Compound Name: 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
• PubChem CID: 55324754
• Molecular Formula: C25H22N4O2S
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.15
• IUPAC Name: 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one
• SMILES: COc1ccc(Cn2c(SCc3cn4cc(C)ccc4n3)nc3ccccc3c2=O)cc1
• InChI: InChI=1S/C25H22N4O2S/c1-17-7-12-23-26-19(15-28(23)13-17)16-32-25-27-22-6-4-3-5-21(22)24(30)29(25)14-18-8-10-20(31-2)11-9-18/h3-13,15H,14,16H2,1-2H3
• InChIKey: UGVBRJHFTVJEJE-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 61.42 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?

The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one (CID 55324754) is 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one.

What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?

The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one is COc1ccc(Cn2c(SCc3cn4cc(C)ccc4n3)nc3ccccc3c2=O)cc1.

What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?

The InChIKey is UGVBRJHFTVJEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c1-17-7-12-23-26-19(15-28(23)13-17)16-32-25-27-22-6-4-3-5-21(22)24(30)29(25)14-18-8-10-20(31-2)11-9-18/h3-13,15H,14,16H2,1-2H3.

What are the key properties of 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one?

3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 442.54 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methoxyphenyl)methyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 55324754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).