N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide

C33H27N3O2 — CID 123309857

About N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide

N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 123309857) has the molecular formula C33H27N3O2 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
• PubChem CID: 123309857
• Molecular Formula: C33H27N3O2
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.21
• IUPAC Name: N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
• SMILES: O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1C=Cc1ccccc1)-c1ccc(CO)cc1CC2
• InChI: InChI=1S/C33H27N3O2/c37-21-24-11-15-28-27(19-24)14-17-29-32(28)34-30(16-12-22-6-2-1-3-7-22)33(35-29)36-31(38)20-23-10-13-25-8-4-5-9-26(25)18-23/h1-13,15-16,18-19,37H,14,17,20-21H2,(H,35,36,38)
• InChIKey: DNUJPCJKRIZPQR-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?

The IUPAC name of N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide (CID 123309857) is N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide.

What is the SMILES notation for N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?

The canonical SMILES for N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1C=Cc1ccccc1)-c1ccc(CO)cc1CC2.

What is the InChIKey of N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?

The InChIKey is DNUJPCJKRIZPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O2/c37-21-24-11-15-28-27(19-24)14-17-29-32(28)34-30(16-12-22-6-2-1-3-7-22)33(35-29)36-31(38)20-23-10-13-25-8-4-5-9-26(25)18-23/h1-13,15-16,18-19,37H,14,17,20-21H2,(H,35,36,38).

What are the key properties of N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide?

N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 497.60 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-(hydroxymethyl)-2-(2-phenylethenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 123309857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).