N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide

C33H30N6O2 — CID 157152050

About N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide

N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide (PubChem CID 157152050) has the molecular formula C33H30N6O2 and a molecular weight of 542.64 g/mol. Its IUPAC name is N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
• PubChem CID: 157152050
• Molecular Formula: C33H30N6O2
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.24
• IUPAC Name: N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(C(=O)Cc2ccc(-c3ccc4ncc(N5CCN(c6ccncc6)CC5)nc4c3)cc2)cc1
• InChI: InChI=1S/C33H30N6O2/c1-23(40)36-28-9-6-26(7-10-28)32(41)20-24-2-4-25(5-3-24)27-8-11-30-31(21-27)37-33(22-35-30)39-18-16-38(17-19-39)29-12-14-34-15-13-29/h2-15,21-22H,16-20H2,1H3,(H,36,40)
• InChIKey: ALJGQBFQJRNSOW-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 91.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide?

The IUPAC name of N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide (CID 157152050) is N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide?

The canonical SMILES for N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)Cc2ccc(-c3ccc4ncc(N5CCN(c6ccncc6)CC5)nc4c3)cc2)cc1.

What is the InChIKey of N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide?

The InChIKey is ALJGQBFQJRNSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N6O2/c1-23(40)36-28-9-6-26(7-10-28)32(41)20-24-2-4-25(5-3-24)27-8-11-30-31(21-27)37-33(22-35-30)39-18-16-38(17-19-39)29-12-14-34-15-13-29/h2-15,21-22H,16-20H2,1H3,(H,36,40).

What are the key properties of N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide?

N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide has a molecular weight of 542.64 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]acetyl]phenyl]acetamide is sourced from PubChem (CID 157152050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).