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

C24H27ClN4O3 — CID 53129394

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

3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (PubChem CID 53129394) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

• Compound Name: 3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide
• PubChem CID: 53129394
• Molecular Formula: C24H27ClN4O3
• Molecular Weight: 454.96 g/mol
• Exact Mass: 454.18
• IUPAC Name: 3-[4-[2-(2-chloro-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)c(Cl)c1
• InChI: InChI=1S/C24H27ClN4O3/c1-15(2)13-26-22(30)11-10-20-24(32)29(21-7-5-4-6-19(21)27-20)14-23(31)28-18-9-8-16(3)12-17(18)25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,26,30)(H,28,31)
• InChIKey: OQGQMIFPKLBAHU-UHFFFAOYSA-N
• XLogP: 3.70
• 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	454.96
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide (CID 53129394) is 3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide.

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

The canonical SMILES for 3-[4-[2-(2-chloro-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)c(Cl)c1.

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

The InChIKey is OQGQMIFPKLBAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-15(2)13-26-22(30)11-10-20-24(32)29(21-7-5-4-6-19(21)27-20)14-23(31)28-18-9-8-16(3)12-17(18)25/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,26,30)(H,28,31).

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

3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 454.96 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 53129394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).