N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide

C45H47N7O7 — CID 155278013

About N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide (PubChem CID 155278013) has the molecular formula C45H47N7O7 and a molecular weight of 797.91 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide.

Molecular Properties

• Compound Name: N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide
• PubChem CID: 155278013
• Molecular Formula: C45H47N7O7
• Molecular Weight: 797.91 g/mol
• Exact Mass: 797.35
• IUPAC Name: N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(OCCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12
• InChI: InChI=1S/C45H47N7O7/c1-44(2)42(45(3,4)43(44)59-35-16-10-28(26-46)37-32(35)7-5-18-47-37)49-38(54)27-8-12-30(13-9-27)58-24-6-19-50-20-22-51(23-21-50)29-11-14-31-33(25-29)41(57)52(40(31)56)34-15-17-36(53)48-39(34)55/h5,7-14,16,18,25,34,42-43H,6,15,17,19-24H2,1-4H3,(H,49,54)(H,48,53,55)
• InChIKey: OCCVSQYFYICLHD-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 174.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.91
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide?

The IUPAC name of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide (CID 155278013) is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide.

What is the SMILES notation for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide?

The canonical SMILES for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide is CC1(C)C(NC(=O)c2ccc(OCCCN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)cc2)C(C)(C)C1Oc1ccc(C#N)c2ncccc12.

What is the InChIKey of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide?

The InChIKey is OCCVSQYFYICLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H47N7O7/c1-44(2)42(45(3,4)43(44)59-35-16-10-28(26-46)37-32(35)7-5-18-47-37)49-38(54)27-8-12-30(13-9-27)58-24-6-19-50-20-22-51(23-21-50)29-11-14-31-33(25-29)41(57)52(40(31)56)34-15-17-36(53)48-39(34)55/h5,7-14,16,18,25,34,42-43H,6,15,17,19-24H2,1-4H3,(H,49,54)(H,48,53,55).

What are the key properties of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide?

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide has a molecular weight of 797.91 g/mol, XLogP of 4.71, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propoxy]benzamide is sourced from PubChem (CID 155278013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).