3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C28H25FN4O3S — CID 163337592

About 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide

3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 163337592) has the molecular formula C28H25FN4O3S and a molecular weight of 516.60 g/mol. Its IUPAC name is 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
• PubChem CID: 163337592
• Molecular Formula: C28H25FN4O3S
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.16
• IUPAC Name: 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide
• SMILES: COc1ccc(CNC(=O)CCC2C(=O)N=C3c4ccccc4N=C(SCc4ccccc4F)N32)cc1
• InChI: InChI=1S/C28H25FN4O3S/c1-36-20-12-10-18(11-13-20)16-30-25(34)15-14-24-27(35)32-26-21-7-3-5-9-23(21)31-28(33(24)26)37-17-19-6-2-4-8-22(19)29/h2-13,24H,14-17H2,1H3,(H,30,34)
• InChIKey: FVMGZLYRXHMAEB-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?

The IUPAC name of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 163337592) is 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

What is the SMILES notation for 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?

The canonical SMILES for 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)CCC2C(=O)N=C3c4ccccc4N=C(SCc4ccccc4F)N32)cc1.

What is the InChIKey of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?

The InChIKey is FVMGZLYRXHMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O3S/c1-36-20-12-10-18(11-13-20)16-30-25(34)15-14-24-27(35)32-26-21-7-3-5-9-23(21)31-28(33(24)26)37-17-19-6-2-4-8-22(19)29/h2-13,24H,14-17H2,1H3,(H,30,34).

What are the key properties of 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide?

3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 516.60 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 163337592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).