3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide

C25H21FN4O2S2 — CID 163336811

About 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide

3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 163336811) has the molecular formula C25H21FN4O2S2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
• PubChem CID: 163336811
• Molecular Formula: C25H21FN4O2S2
• Molecular Weight: 492.60 g/mol
• Exact Mass: 492.11
• IUPAC Name: 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide
• SMILES: O=C(CCC1C(=O)N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N21)NCc1cccs1
• InChI: InChI=1S/C25H21FN4O2S2/c26-17-9-7-16(8-10-17)15-34-25-28-20-6-2-1-5-19(20)23-29-24(32)21(30(23)25)11-12-22(31)27-14-18-4-3-13-33-18/h1-10,13,21H,11-12,14-15H2,(H,27,31)
• InChIKey: MZDAMXBHXRHFMH-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.60
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?

The IUPAC name of 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide (CID 163336811) is 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?

The canonical SMILES for 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide is O=C(CCC1C(=O)N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N21)NCc1cccs1.

What is the InChIKey of 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?

The InChIKey is MZDAMXBHXRHFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2S2/c26-17-9-7-16(8-10-17)15-34-25-28-20-6-2-1-5-19(20)23-29-24(32)21(30(23)25)11-12-22(31)27-14-18-4-3-13-33-18/h1-10,13,21H,11-12,14-15H2,(H,27,31).

What are the key properties of 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide?

3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 492.60 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(4-fluorophenyl)methylsulfanyl]-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 163336811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).