2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C28H27FN4O3 — CID 53045942

About 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 53045942) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 53045942
• Molecular Formula: C28H27FN4O3
• Molecular Weight: 486.55 g/mol
• Exact Mass: 486.21
• IUPAC Name: 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O
• InChI: InChI=1S/C28H27FN4O3/c1-18(2)21-10-14-23(15-11-21)30-26(35)17-33-25-7-5-4-6-24(25)31-27(28(33)36)32(19(3)34)16-20-8-12-22(29)13-9-20/h4-15,18H,16-17H2,1-3H3,(H,30,35)
• InChIKey: RSNWTJQAJKJTMF-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.55
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 53045942) is 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O.

What is the InChIKey of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is RSNWTJQAJKJTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c1-18(2)21-10-14-23(15-11-21)30-26(35)17-33-25-7-5-4-6-24(25)31-27(28(33)36)32(19(3)34)16-20-8-12-22(29)13-9-20/h4-15,18H,16-17H2,1-3H3,(H,30,35).

What are the key properties of 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide?

2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 486.55 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[acetyl-[(4-fluorophenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 53045942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).