N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C22H21FN4O2S — CID 163335960

About N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163335960) has the molecular formula C22H21FN4O2S and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
• PubChem CID: 163335960
• Molecular Formula: C22H21FN4O2S
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.14
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
• SMILES: CC(C)C1C(=O)N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)N21
• InChI: InChI=1S/C22H21FN4O2S/c1-13(2)19-21(29)26-20-16-5-3-4-6-17(16)25-22(27(19)20)30-12-18(28)24-11-14-7-9-15(23)10-8-14/h3-10,13,19H,11-12H2,1-2H3,(H,24,28)
• InChIKey: MUJPARZBPQFPMM-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163335960) is N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CC(C)C1C(=O)N=C2c3ccccc3N=C(SCC(=O)NCc3ccc(F)cc3)N21.

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

The InChIKey is MUJPARZBPQFPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2S/c1-13(2)19-21(29)26-20-16-5-3-4-6-17(16)25-22(27(19)20)30-12-18(28)24-11-14-7-9-15(23)10-8-14/h3-10,13,19H,11-12H2,1-2H3,(H,24,28).

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

N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163335960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).