N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide

C26H27N3O2 — CID 136625402

About N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide

N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide (PubChem CID 136625402) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide.

Molecular Properties

• Compound Name: N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
• PubChem CID: 136625402
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide
• SMILES: CC(C)=Cc1nc2c(nc1NC(=O)CCCc1ccccc1)CCc1cc(O)ccc1-2
• InChI: InChI=1S/C26H27N3O2/c1-17(2)15-23-26(29-24(31)10-6-9-18-7-4-3-5-8-18)28-22-14-11-19-16-20(30)12-13-21(19)25(22)27-23/h3-5,7-8,12-13,15-16,30H,6,9-11,14H2,1-2H3,(H,28,29,31)
• InChIKey: RHUPRTHSHRVJLX-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?

The IUPAC name of N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide (CID 136625402) is N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide.

What is the SMILES notation for N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?

The canonical SMILES for N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide is CC(C)=Cc1nc2c(nc1NC(=O)CCCc1ccccc1)CCc1cc(O)ccc1-2.

What is the InChIKey of N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?

The InChIKey is RHUPRTHSHRVJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-17(2)15-23-26(29-24(31)10-6-9-18-7-4-3-5-8-18)28-22-14-11-19-16-20(30)12-13-21(19)25(22)27-23/h3-5,7-8,12-13,15-16,30H,6,9-11,14H2,1-2H3,(H,28,29,31).

What are the key properties of N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide?

N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide has a molecular weight of 413.52 g/mol, XLogP of 5.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-hydroxy-2-(2-methylprop-1-enyl)-5,6-dihydrobenzo[f]quinoxalin-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 136625402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).