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

C28H24ClN3O2 — CID 123426172

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

N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide (PubChem CID 123426172) has the molecular formula C28H24ClN3O2 and a molecular weight of 469.97 g/mol. Its IUPAC name is N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
• PubChem CID: 123426172
• Molecular Formula: C28H24ClN3O2
• Molecular Weight: 469.97 g/mol
• Exact Mass: 469.16
• IUPAC Name: N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide
• SMILES: O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(CO)cc1CC2
• InChI: InChI=1S/C28H24ClN3O2/c29-22-10-6-19(7-11-22)16-26(34)32-28-25(15-18-4-2-1-3-5-18)30-27-23-12-8-20(17-33)14-21(23)9-13-24(27)31-28/h1-8,10-12,14,33H,9,13,15-17H2,(H,31,32,34)
• InChIKey: GVMMZJBVEQCZHL-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.97
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide (CID 123426172) is N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide.

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

The canonical SMILES for N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1nc2c(nc1Cc1ccccc1)-c1ccc(CO)cc1CC2.

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

The InChIKey is GVMMZJBVEQCZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN3O2/c29-22-10-6-19(7-11-22)16-26(34)32-28-25(15-18-4-2-1-3-5-18)30-27-23-12-8-20(17-33)14-21(23)9-13-24(27)31-28/h1-8,10-12,14,33H,9,13,15-17H2,(H,31,32,34).

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

N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide has a molecular weight of 469.97 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-benzyl-8-(hydroxymethyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 123426172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).