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

C49H56N8O6 — CID 171724543

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

N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide (PubChem CID 171724543) has the molecular formula C49H56N8O6 and a molecular weight of 853.04 g/mol. Its IUPAC name is N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide
• PubChem CID: 171724543
• Molecular Formula: C49H56N8O6
• Molecular Weight: 853.04 g/mol
• Exact Mass: 852.43
• IUPAC Name: N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide
• SMILES: CC1(CN2CCN(c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)CC2)CCN(c2ccc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c5[nH]c(=O)ccc45)C3(C)C)cc2)CC1
• InChI: InChI=1S/C49H56N8O6/c1-47(2)45(48(3,4)46(47)63-38-15-8-31(27-50)41-36(38)13-16-39(58)51-41)53-42(60)30-6-9-33(10-7-30)55-20-18-49(5,19-21-55)29-54-22-24-56(25-23-54)34-11-12-35-32(26-34)28-57(44(35)62)37-14-17-40(59)52-43(37)61/h6-13,15-16,26,37,45-46H,14,17-25,28-29H2,1-5H3,(H,51,58)(H,53,60)(H,52,59,61)/t37-,45?,46?/m0/s1
• InChIKey: LEDFUZUGKKAAFR-RAZKCKLWSA-N
• XLogP: 5.20
• TPSA: 171.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	853.04
LogP ≤ 5	5.20
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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide (CID 171724543) is N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide is CC1(CN2CCN(c3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)CC2)CCN(c2ccc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c5[nH]c(=O)ccc45)C3(C)C)cc2)CC1.

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

The InChIKey is LEDFUZUGKKAAFR-RAZKCKLWSA-N. The full InChI is InChI=1S/C49H56N8O6/c1-47(2)45(48(3,4)46(47)63-38-15-8-31(27-50)41-36(38)13-16-39(58)51-41)53-42(60)30-6-9-33(10-7-30)55-20-18-49(5,19-21-55)29-54-22-24-56(25-23-54)34-11-12-35-32(26-34)28-57(44(35)62)37-14-17-40(59)52-43(37)61/h6-13,15-16,26,37,45-46H,14,17-25,28-29H2,1-5H3,(H,51,58)(H,53,60)(H,52,59,61)/t37-,45?,46?/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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide?

N-[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide has a molecular weight of 853.04 g/mol, XLogP of 5.20, 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-[[4-[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]piperazin-1-yl]methyl]-4-methylpiperidin-1-yl]benzamide is sourced from PubChem (CID 171724543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).