N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide

C52H59FN8O7 — CID 155278015

About N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide (PubChem CID 155278015) has the molecular formula C52H59FN8O7 and a molecular weight of 927.09 g/mol. Its IUPAC name is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide.

Molecular Properties

• Compound Name: N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide
• PubChem CID: 155278015
• Molecular Formula: C52H59FN8O7
• Molecular Weight: 927.09 g/mol
• Exact Mass: 926.45
• IUPAC Name: N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide
• SMILES: CN(C)CCN(CC1CCN(c2ccc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c5ncccc45)C3(C)C)cc2F)CC1)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
• InChI: InChI=1S/C52H59FN8O7/c1-51(2)49(52(3,4)50(51)68-42-15-10-32(28-54)44-37(42)8-7-19-55-44)57-45(63)31-9-13-40(39(53)24-31)59-20-17-30(18-21-59)29-60(23-22-58(5)6)33-25-35(26-33)67-34-11-12-36-38(27-34)48(66)61(47(36)65)41-14-16-43(62)56-46(41)64/h7-13,15,19,24,27,30,33,35,41,49-50H,14,16-18,20-23,25-26,29H2,1-6H3,(H,57,63)(H,56,62,64)
• InChIKey: VVWDRHMRSAVEGB-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 177.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.09
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide?

The IUPAC name of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide (CID 155278015) is N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide.

What is the SMILES notation for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide?

The canonical SMILES for N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide is CN(C)CCN(CC1CCN(c2ccc(C(=O)NC3C(C)(C)C(Oc4ccc(C#N)c5ncccc45)C3(C)C)cc2F)CC1)C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.

What is the InChIKey of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide?

The InChIKey is VVWDRHMRSAVEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H59FN8O7/c1-51(2)49(52(3,4)50(51)68-42-15-10-32(28-54)44-37(42)8-7-19-55-44)57-45(63)31-9-13-40(39(53)24-31)59-20-17-30(18-21-59)29-60(23-22-58(5)6)33-25-35(26-33)67-34-11-12-36-38(27-34)48(66)61(47(36)65)41-14-16-43(62)56-46(41)64/h7-13,15,19,24,27,30,33,35,41,49-50H,14,16-18,20-23,25-26,29H2,1-6H3,(H,57,63)(H,56,62,64).

What are the key properties of N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide?

N-[3-(8-cyanoquinolin-5-yl)oxy-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide has a molecular weight of 927.09 g/mol, XLogP of 5.95, 14 rotatable bonds, 2 hydrogen bond donors, and 12 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-[4-[[2-(dimethylamino)ethyl-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]amino]methyl]piperidin-1-yl]-3-fluorobenzamide is sourced from PubChem (CID 155278015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).