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

C21H18F2N4O2S — CID 163337033

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

N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163337033) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
• PubChem CID: 163337033
• Molecular Formula: C21H18F2N4O2S
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.11
• IUPAC Name: N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
• SMILES: CCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N21
• InChI: InChI=1S/C21H18F2N4O2S/c1-2-5-17-20(29)26-19-13-6-3-4-7-15(13)25-21(27(17)19)30-11-18(28)24-16-10-12(22)8-9-14(16)23/h3-4,6-10,17H,2,5,11H2,1H3,(H,24,28)
• InChIKey: GOXUFSYUIHTONE-UHFFFAOYSA-N
• XLogP: 4.10
• 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	428.46
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163337033) is N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

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

The canonical SMILES for N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CCCC1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3cc(F)ccc3F)N21.

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

The InChIKey is GOXUFSYUIHTONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-2-5-17-20(29)26-19-13-6-3-4-7-15(13)25-21(27(17)19)30-11-18(28)24-16-10-12(22)8-9-14(16)23/h3-4,6-10,17H,2,5,11H2,1H3,(H,24,28).

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

N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 428.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163337033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).