4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide

C48H53FN8O6 — CID 171564785

About 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide

4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide (PubChem CID 171564785) has the molecular formula C48H53FN8O6 and a molecular weight of 857.00 g/mol. Its IUPAC name is 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide.

Molecular Properties

• Compound Name: 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
• PubChem CID: 171564785
• Molecular Formula: C48H53FN8O6
• Molecular Weight: 857.00 g/mol
• Exact Mass: 856.41
• IUPAC Name: 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide
• SMILES: CC1(C)C(NC(=O)c2ccc(N3CC(CN4CC5(CCN(c6ccc(C(=O)N[C@H]7CCC(=O)NC7=O)c(F)c6)CC5)C4)C3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12
• InChI: InChI=1S/C48H53FN8O6/c1-46(2)44(47(3,4)45(46)63-37-14-7-30(22-50)40-34(37)12-15-38(58)52-40)54-41(60)29-5-8-31(9-6-29)57-24-28(25-57)23-55-26-48(27-55)17-19-56(20-18-48)32-10-11-33(35(49)21-32)42(61)51-36-13-16-39(59)53-43(36)62/h5-12,14-15,21,28,36,44-45H,13,16-20,23-27H2,1-4H3,(H,51,61)(H,52,58)(H,54,60)(H,53,59,62)/t36-,44?,45?/m0/s1
• InChIKey: WUIDHPVOXIVDIU-PJNDOTQSSA-N
• XLogP: 4.72
• TPSA: 179.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	857.00
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	4
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 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide?

The IUPAC name of 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide (CID 171564785) is 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide.

What is the SMILES notation for 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide?

The canonical SMILES for 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide is CC1(C)C(NC(=O)c2ccc(N3CC(CN4CC5(CCN(c6ccc(C(=O)N[C@H]7CCC(=O)NC7=O)c(F)c6)CC5)C4)C3)cc2)C(C)(C)C1Oc1ccc(C#N)c2[nH]c(=O)ccc12.

What is the InChIKey of 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide?

The InChIKey is WUIDHPVOXIVDIU-PJNDOTQSSA-N. The full InChI is InChI=1S/C48H53FN8O6/c1-46(2)44(47(3,4)45(46)63-37-14-7-30(22-50)40-34(37)12-15-38(58)52-40)54-41(60)29-5-8-31(9-6-29)57-24-28(25-57)23-55-26-48(27-55)17-19-56(20-18-48)32-10-11-33(35(49)21-32)42(61)51-36-13-16-39(59)53-43(36)62/h5-12,14-15,21,28,36,44-45H,13,16-20,23-27H2,1-4H3,(H,51,61)(H,52,58)(H,54,60)(H,53,59,62)/t36-,44?,45?/m0/s1.

What are the key properties of 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide?

4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide has a molecular weight of 857.00 g/mol, XLogP of 4.72, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[1-[4-[[3-[(8-cyano-2-oxo-1H-quinolin-5-yl)oxy]-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]azetidin-3-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]-N-[(3S)-2,6-dioxopiperidin-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 171564785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).