2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

C24H24ClN3O2 — CID 136625384

About 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide

2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (PubChem CID 136625384) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
• PubChem CID: 136625384
• Molecular Formula: C24H24ClN3O2
• Molecular Weight: 421.93 g/mol
• Exact Mass: 421.16
• IUPAC Name: 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide
• SMILES: CC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(Cl)cc1)CCc1cc(O)ccc1-2
• InChI: InChI=1S/C24H24ClN3O2/c1-14(2)11-21-24(28-22(30)12-15-3-6-17(25)7-4-15)27-20-10-5-16-13-18(29)8-9-19(16)23(20)26-21/h3-4,6-9,13-14,29H,5,10-12H2,1-2H3,(H,27,28,30)
• InChIKey: UGUJZOMDJMXPGO-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.93
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?

The IUPAC name of 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide (CID 136625384) is 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide.

What is the SMILES notation for 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?

The canonical SMILES for 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is CC(C)Cc1nc2c(nc1NC(=O)Cc1ccc(Cl)cc1)CCc1cc(O)ccc1-2.

What is the InChIKey of 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?

The InChIKey is UGUJZOMDJMXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c1-14(2)11-21-24(28-22(30)12-15-3-6-17(25)7-4-15)27-20-10-5-16-13-18(29)8-9-19(16)23(20)26-21/h3-4,6-9,13-14,29H,5,10-12H2,1-2H3,(H,27,28,30).

What are the key properties of 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide?

2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide has a molecular weight of 421.93 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorophenyl)-N-[8-hydroxy-2-(2-methylpropyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]acetamide is sourced from PubChem (CID 136625384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).