3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

C24H27FN4O3 — CID 53129400

About 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53129400) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• PubChem CID: 53129400
• Molecular Formula: C24H27FN4O3
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.21
• IUPAC Name: 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• SMILES: Cc1ccc(NC(=O)Cn2c(=O)c(CCC(=O)NCC(C)C)nc3ccccc32)cc1F
• InChI: InChI=1S/C24H27FN4O3/c1-15(2)13-26-22(30)11-10-20-24(32)29(21-7-5-4-6-19(21)28-20)14-23(31)27-17-9-8-16(3)18(25)12-17/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,26,30)(H,27,31)
• InChIKey: ZZXBWKQUDDTUIV-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 93.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

The IUPAC name of 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (CID 53129400) is 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

What is the SMILES notation for 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

The canonical SMILES for 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is Cc1ccc(NC(=O)Cn2c(=O)c(CCC(=O)NCC(C)C)nc3ccccc32)cc1F.

What is the InChIKey of 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

The InChIKey is ZZXBWKQUDDTUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-15(2)13-26-22(30)11-10-20-24(32)29(21-7-5-4-6-19(21)28-20)14-23(31)27-17-9-8-16(3)18(25)12-17/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,26,30)(H,27,31).

What are the key properties of 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide?

3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 438.50 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 53129400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).