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

C34H36N6O3S — CID 46251207

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

2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 46251207) has the molecular formula C34H36N6O3S and a molecular weight of 608.77 g/mol. Its IUPAC name is 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 46251207
• Molecular Formula: C34H36N6O3S
• Molecular Weight: 608.77 g/mol
• Exact Mass: 608.26
• IUPAC Name: 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1
• InChI: InChI=1S/C34H36N6O3S/c1-23(2)24-12-14-25(15-13-24)35-30(41)22-44-34-37-28-11-7-6-10-27(28)32-36-29(33(43)40(32)34)16-17-31(42)39-20-18-38(19-21-39)26-8-4-3-5-9-26/h3-15,23,29H,16-22H2,1-2H3,(H,35,41)
• InChIKey: GEQOWHWLQGWIGH-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 97.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	608.77
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide (CID 46251207) is 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(CCC(=O)N4CCN(c5ccccc5)CC4)C(=O)N23)cc1.

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

The InChIKey is GEQOWHWLQGWIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3S/c1-23(2)24-12-14-25(15-13-24)35-30(41)22-44-34-37-28-11-7-6-10-27(28)32-36-29(33(43)40(32)34)16-17-31(42)39-20-18-38(19-21-39)26-8-4-3-5-9-26/h3-15,23,29H,16-22H2,1-2H3,(H,35,41).

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

2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 608.77 g/mol, XLogP of 5.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-oxo-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 46251207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).