N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

C25H25N3O2 — CID 140639327

About N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide

N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (PubChem CID 140639327) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
• PubChem CID: 140639327
• Molecular Formula: C25H25N3O2
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.19
• IUPAC Name: N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide
• SMILES: CC(C)CC(=O)Nc1nc2c(nc1/C=C/c1ccccc1)-c1ccc(O)cc1CC2
• InChI: InChI=1S/C25H25N3O2/c1-16(2)14-23(30)28-25-22(12-8-17-6-4-3-5-7-17)26-24-20-11-10-19(29)15-18(20)9-13-21(24)27-25/h3-8,10-12,15-16,29H,9,13-14H2,1-2H3,(H,27,28,30)/b12-8+
• InChIKey: FYAGIUDMBXGLQB-XYOKQWHBSA-N
• XLogP: 5.10
• TPSA: 75.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide (CID 140639327) is N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide.

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

The canonical SMILES for N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is CC(C)CC(=O)Nc1nc2c(nc1/C=C/c1ccccc1)-c1ccc(O)cc1CC2.

What is the InChIKey of N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide?

The InChIKey is FYAGIUDMBXGLQB-XYOKQWHBSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-16(2)14-23(30)28-25-22(12-8-17-6-4-3-5-7-17)26-24-20-11-10-19(29)15-18(20)9-13-21(24)27-25/h3-8,10-12,15-16,29H,9,13-14H2,1-2H3,(H,27,28,30)/b12-8+.

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

N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide has a molecular weight of 399.49 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-hydroxy-2-[(E)-2-phenylethenyl]-5,6-dihydrobenzo[f]quinoxalin-3-yl]-3-methylbutanamide is sourced from PubChem (CID 140639327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).