4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane

C43H56N8O9 — CID 159462945

About 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane

4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane (PubChem CID 159462945) has the molecular formula C43H56N8O9 and a molecular weight of 828.97 g/mol. Its IUPAC name is 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane.

Molecular Properties

• Compound Name: 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane
• PubChem CID: 159462945
• Molecular Formula: C43H56N8O9
• Molecular Weight: 828.97 g/mol
• Exact Mass: 828.42
• IUPAC Name: 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane
• SMILES: C.N#Cc1ccc2ncnc(NC3CCC(N4CCN(CCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c2c1
• InChI: InChI=1S/C42H52N8O9.CH4/c43-27-29-1-8-36-35(25-29)39(45-28-44-36)46-30-2-4-31(5-3-30)49-13-11-48(12-14-49)15-16-55-17-18-56-19-20-57-21-22-58-23-24-59-32-6-7-33-34(26-32)42(54)50(41(33)53)37-9-10-38(51)47-40(37)52;/h1,6-8,25-26,28,30-31,37H,2-5,9-24H2,(H,44,45,46)(H,47,51,52);1H4
• InChIKey: LUUYBGVGNJSNHD-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 197.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	828.97
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane?

The IUPAC name of 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane (CID 159462945) is 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane.

What is the SMILES notation for 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane?

The canonical SMILES for 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane is C.N#Cc1ccc2ncnc(NC3CCC(N4CCN(CCOCCOCCOCCOCCOc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)c2c1.

What is the InChIKey of 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane?

The InChIKey is LUUYBGVGNJSNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52N8O9.CH4/c43-27-29-1-8-36-35(25-29)39(45-28-44-36)46-30-2-4-31(5-3-30)49-13-11-48(12-14-49)15-16-55-17-18-56-19-20-57-21-22-58-23-24-59-32-6-7-33-34(26-32)42(54)50(41(33)53)37-9-10-38(51)47-40(37)52;/h1,6-8,25-26,28,30-31,37H,2-5,9-24H2,(H,44,45,46)(H,47,51,52);1H4.

What are the key properties of 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane?

4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane has a molecular weight of 828.97 g/mol, XLogP of 3.02, 20 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[4-[2-[2-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]cyclohexyl]amino]quinazoline-6-carbonitrile;methane is sourced from PubChem (CID 159462945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).