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

C24H26N4O4S — CID 163337158

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

N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (PubChem CID 163337158) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
• PubChem CID: 163337158
• Molecular Formula: C24H26N4O4S
• Molecular Weight: 466.56 g/mol
• Exact Mass: 466.17
• IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
• SMILES: COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(C)C)N23)cc1OC
• InChI: InChI=1S/C24H26N4O4S/c1-14(2)11-18-23(30)27-22-16-7-5-6-8-17(16)26-24(28(18)22)33-13-21(29)25-15-9-10-19(31-3)20(12-15)32-4/h5-10,12,14,18H,11,13H2,1-4H3,(H,25,29)
• InChIKey: XQZPTNDWVVTLDR-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.56
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide (CID 163337158) is N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(=O)C(CC(C)C)N23)cc1OC.

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

The InChIKey is XQZPTNDWVVTLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-14(2)11-18-23(30)27-22-16-7-5-6-8-17(16)26-24(28(18)22)33-13-21(29)25-15-9-10-19(31-3)20(12-15)32-4/h5-10,12,14,18H,11,13H2,1-4H3,(H,25,29).

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

N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide has a molecular weight of 466.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethoxyphenyl)-2-[[3-(2-methylpropyl)-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 163337158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).