N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide

C47H52N8O6 — CID 171564744

About N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide

N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide (PubChem CID 171564744) has the molecular formula C47H52N8O6 and a molecular weight of 824.98 g/mol. Its IUPAC name is N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide
• PubChem CID: 171564744
• Molecular Formula: C47H52N8O6
• Molecular Weight: 824.98 g/mol
• Exact Mass: 824.40
• IUPAC Name: N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide
• SMILES: C[C@@H]1CN(CC2CN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C2)CCN1c1ccc(C(=O)NC2C(C)(C)C(Oc3ccc(C#N)c4[nH]c(=O)ccc34)C2(C)C)cc1
• InChI: InChI=1S/C47H52N8O6/c1-27-22-52(23-28-24-53(25-28)33-11-12-34-31(20-33)26-55(43(34)60)36-14-17-39(57)50-42(36)59)18-19-54(27)32-9-6-29(7-10-32)41(58)51-44-46(2,3)45(47(44,4)5)61-37-15-8-30(21-48)40-35(37)13-16-38(56)49-40/h6-13,15-16,20,27-28,36,44-45H,14,17-19,22-26H2,1-5H3,(H,49,56)(H,51,58)(H,50,57,59)/t27-,36?,44?,45?/m1/s1
• InChIKey: ITCLNCPJGJLMKV-RZHSLUKFSA-N
• XLogP: 4.42
• TPSA: 171.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	824.98
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide?

The IUPAC name of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide (CID 171564744) is N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide.

What is the SMILES notation for N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide?

The canonical SMILES for N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide is C[C@@H]1CN(CC2CN(c3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)C2)CCN1c1ccc(C(=O)NC2C(C)(C)C(Oc3ccc(C#N)c4[nH]c(=O)ccc34)C2(C)C)cc1.

What is the InChIKey of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide?

The InChIKey is ITCLNCPJGJLMKV-RZHSLUKFSA-N. The full InChI is InChI=1S/C47H52N8O6/c1-27-22-52(23-28-24-53(25-28)33-11-12-34-31(20-33)26-55(43(34)60)36-14-17-39(57)50-42(36)59)18-19-54(27)32-9-6-29(7-10-32)41(58)51-44-46(2,3)45(47(44,4)5)61-37-15-8-30(21-48)40-35(37)13-16-38(56)49-40/h6-13,15-16,20,27-28,36,44-45H,14,17-19,22-26H2,1-5H3,(H,49,56)(H,51,58)(H,50,57,59)/t27-,36?,44?,45?/m1/s1.

What are the key properties of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide?

N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide has a molecular weight of 824.98 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[(2R)-4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]azetidin-3-yl]methyl]-2-methylpiperazin-1-yl]benzamide is sourced from PubChem (CID 171564744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).