N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

C32H32N6O4S — CID 46251217

About N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide

N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 46251217) has the molecular formula C32H32N6O4S and a molecular weight of 596.71 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
• PubChem CID: 46251217
• Molecular Formula: C32H32N6O4S
• Molecular Weight: 596.71 g/mol
• Exact Mass: 596.22
• IUPAC Name: N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
• SMILES: CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1
• InChI: InChI=1S/C32H32N6O4S/c1-2-42-24-14-12-22(13-15-24)33-28(39)21-43-32-35-26-11-7-6-10-25(26)30-34-27(31(41)38(30)32)20-29(40)37-18-16-36(17-19-37)23-8-4-3-5-9-23/h3-15,27H,2,16-21H2,1H3,(H,33,39)
• InChIKey: XPFBCZFQTXGAHZ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 106.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	596.71
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 46251217) is N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is CCOc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1.

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

The InChIKey is XPFBCZFQTXGAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O4S/c1-2-42-24-14-12-22(13-15-24)33-28(39)21-43-32-35-26-11-7-6-10-25(26)30-34-27(31(41)38(30)32)20-29(40)37-18-16-36(17-19-37)23-8-4-3-5-9-23/h3-15,27H,2,16-21H2,1H3,(H,33,39).

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

N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 596.71 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[[3-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 46251217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).