1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone

C30H30N6O6S2 — CID 23966626

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone (PubChem CID 23966626) has the molecular formula C30H30N6O6S2 and a molecular weight of 634.74 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone.

Molecular Properties

• Compound Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
• PubChem CID: 23966626
• Molecular Formula: C30H30N6O6S2
• Molecular Weight: 634.74 g/mol
• Exact Mass: 634.17
• IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
• SMILES: O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C30H30N6O6S2/c37-25(33-9-13-35(14-10-33)29(39)23-7-3-17-41-23)19-43-27-28(32-22-6-2-1-5-21(22)31-27)44-20-26(38)34-11-15-36(16-12-34)30(40)24-8-4-18-42-24/h1-8,17-18H,9-16,19-20H2
• InChIKey: KBLNLLISNUHLQK-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 133.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.74
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone?

The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone (CID 23966626) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone.

What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone?

The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone is O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone?

The InChIKey is KBLNLLISNUHLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O6S2/c37-25(33-9-13-35(14-10-33)29(39)23-7-3-17-41-23)19-43-27-28(32-22-6-2-1-5-21(22)31-27)44-20-26(38)34-11-15-36(16-12-34)30(40)24-8-4-18-42-24/h1-8,17-18H,9-16,19-20H2.

What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone?

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone has a molecular weight of 634.74 g/mol, XLogP of 2.97, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone is sourced from PubChem (CID 23966626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).