N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide

C49H54N8O6 — CID 171724490

About N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide

N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide (PubChem CID 171724490) has the molecular formula C49H54N8O6 and a molecular weight of 851.02 g/mol. Its IUPAC name is N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide
• PubChem CID: 171724490
• Molecular Formula: C49H54N8O6
• Molecular Weight: 851.02 g/mol
• Exact Mass: 850.42
• IUPAC Name: N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CCC(CN4CC5CC4CN5c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C49H54N8O6/c1-48(2)46(49(3,4)47(48)63-39-14-7-30(23-50)42-37(39)12-15-40(58)51-42)53-43(60)29-5-8-32(9-6-29)54-19-17-28(18-20-54)24-55-26-35-22-34(55)27-56(35)33-10-11-36-31(21-33)25-57(45(36)62)38-13-16-41(59)52-44(38)61/h5-12,14-15,21,28,34-35,38,46-47H,13,16-20,22,24-27H2,1-4H3,(H,51,58)(H,53,60)(H,52,59,61)/t34?,35?,38-,46?,47?/m0/s1
• InChIKey: RGWZWBKZIIHUTH-IMAQMMFOSA-N
• XLogP: 4.95
• TPSA: 171.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	851.02
LogP ≤ 5	4.95
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-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide?

The IUPAC name of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide (CID 171724490) is N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-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-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide?

The canonical SMILES for N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide is CC1(C)C(NC(=O)c2ccc(N3CCC(CN4CC5CC4CN5c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12.

What is the InChIKey of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide?

The InChIKey is RGWZWBKZIIHUTH-IMAQMMFOSA-N. The full InChI is InChI=1S/C49H54N8O6/c1-48(2)46(49(3,4)47(48)63-39-14-7-30(23-50)42-37(39)12-15-40(58)51-42)53-43(60)29-5-8-32(9-6-29)54-19-17-28(18-20-54)24-55-26-35-22-34(55)27-56(35)33-10-11-36-31(21-33)25-57(45(36)62)38-13-16-41(59)52-44(38)61/h5-12,14-15,21,28,34-35,38,46-47H,13,16-20,22,24-27H2,1-4H3,(H,51,58)(H,53,60)(H,52,59,61)/t34?,35?,38-,46?,47?/m0/s1.

What are the key properties of N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide?

N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide has a molecular weight of 851.02 g/mol, XLogP of 4.95, 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-[4-[[5-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]piperidin-1-yl]benzamide is sourced from PubChem (CID 171724490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).