N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide

C26H26FN3O2 — CID 123717833

About N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide

N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide (PubChem CID 123717833) has the molecular formula C26H26FN3O2 and a molecular weight of 431.51 g/mol. Its IUPAC name is N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
• PubChem CID: 123717833
• Molecular Formula: C26H26FN3O2
• Molecular Weight: 431.51 g/mol
• Exact Mass: 431.20
• IUPAC Name: N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide
• SMILES: O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1C1CCCCC1)-c1ccc(F)cc1CC2
• InChI: InChI=1S/C26H26FN3O2/c27-19-9-12-21-18(15-19)8-13-22-25(21)30-24(17-4-2-1-3-5-17)26(28-22)29-23(32)14-16-6-10-20(31)11-7-16/h6-7,9-12,15,17,31H,1-5,8,13-14H2,(H,28,29,32)
• InChIKey: JAYUWXPESQSRLE-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.51
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide (CID 123717833) is N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide.

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

The canonical SMILES for N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide is O=C(Cc1ccc(O)cc1)Nc1nc2c(nc1C1CCCCC1)-c1ccc(F)cc1CC2.

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

The InChIKey is JAYUWXPESQSRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2/c27-19-9-12-21-18(15-19)8-13-22-25(21)30-24(17-4-2-1-3-5-17)26(28-22)29-23(32)14-16-6-10-20(31)11-7-16/h6-7,9-12,15,17,31H,1-5,8,13-14H2,(H,28,29,32).

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

N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide has a molecular weight of 431.51 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyclohexyl-8-fluoro-5,6-dihydrobenzo[f]quinoxalin-3-yl)-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 123717833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).