N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide

C30H23N3O3 — CID 136625473

About N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide

N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide (PubChem CID 136625473) has the molecular formula C30H23N3O3 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
• PubChem CID: 136625473
• Molecular Formula: C30H23N3O3
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.17
• IUPAC Name: N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide
• SMILES: O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(O)cc1CC2
• InChI: InChI=1S/C30H23N3O3/c34-23-10-7-20(8-11-23)28-30(31-26-14-9-22-17-24(35)12-13-25(22)29(26)33-28)32-27(36)16-18-5-6-19-3-1-2-4-21(19)15-18/h1-8,10-13,15,17,34-35H,9,14,16H2,(H,31,32,36)
• InChIKey: ILGLEPBCHCDQPS-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 95.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide (CID 136625473) is N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide.

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

The canonical SMILES for N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide is O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1ccc(O)cc1)-c1ccc(O)cc1CC2.

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

The InChIKey is ILGLEPBCHCDQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O3/c34-23-10-7-20(8-11-23)28-30(31-26-14-9-22-17-24(35)12-13-25(22)29(26)33-28)32-27(36)16-18-5-6-19-3-1-2-4-21(19)15-18/h1-8,10-13,15,17,34-35H,9,14,16H2,(H,31,32,36).

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

N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide has a molecular weight of 473.53 g/mol, XLogP of 5.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-hydroxy-2-(4-hydroxyphenyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 136625473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).