3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

C23H24F2N4O3 — CID 53129425

About 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide

3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53129425) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• PubChem CID: 53129425
• Molecular Formula: C23H24F2N4O3
• Molecular Weight: 442.47 g/mol
• Exact Mass: 442.18
• IUPAC Name: 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• SMILES: CC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O
• InChI: InChI=1S/C23H24F2N4O3/c1-14(2)12-26-21(30)10-9-19-23(32)29(20-6-4-3-5-18(20)28-19)13-22(31)27-15-7-8-16(24)17(25)11-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,26,30)(H,27,31)
• InChIKey: KLLYOIFCZNYHMD-UHFFFAOYSA-N
• XLogP: 3.02
• 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	442.47
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (CID 53129425) is 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

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

The canonical SMILES for 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCc1nc2ccccc2n(CC(=O)Nc2ccc(F)c(F)c2)c1=O.

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

The InChIKey is KLLYOIFCZNYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-14(2)12-26-21(30)10-9-19-23(32)29(20-6-4-3-5-18(20)28-19)13-22(31)27-15-7-8-16(24)17(25)11-15/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,26,30)(H,27,31).

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

3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 442.47 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 53129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).