2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide

C26H22F2N4O3 — CID 53045873

About 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide

2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide (PubChem CID 53045873) has the molecular formula C26H22F2N4O3 and a molecular weight of 476.48 g/mol. Its IUPAC name is 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide
• PubChem CID: 53045873
• Molecular Formula: C26H22F2N4O3
• Molecular Weight: 476.48 g/mol
• Exact Mass: 476.17
• IUPAC Name: 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide
• SMILES: CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O
• InChI: InChI=1S/C26H22F2N4O3/c1-16-7-9-18(10-8-16)14-31(17(2)33)25-26(35)32(23-6-4-3-5-22(23)30-25)15-24(34)29-21-12-19(27)11-20(28)13-21/h3-13H,14-15H2,1-2H3,(H,29,34)
• InChIKey: HDZHUKXPLNLJPM-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.48
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide?

The IUPAC name of 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide (CID 53045873) is 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide.

What is the SMILES notation for 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide?

The canonical SMILES for 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide is CC(=O)N(Cc1ccc(C)cc1)c1nc2ccccc2n(CC(=O)Nc2cc(F)cc(F)c2)c1=O.

What is the InChIKey of 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide?

The InChIKey is HDZHUKXPLNLJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O3/c1-16-7-9-18(10-8-16)14-31(17(2)33)25-26(35)32(23-6-4-3-5-22(23)30-25)15-24(34)29-21-12-19(27)11-20(28)13-21/h3-13H,14-15H2,1-2H3,(H,29,34).

What are the key properties of 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide?

2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide has a molecular weight of 476.48 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[acetyl-[(4-methylphenyl)methyl]amino]-2-oxoquinoxalin-1-yl]-N-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 53045873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).