N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide

C41H46ClFN6O5 — CID 164720164

About N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide

N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide (PubChem CID 164720164) has the molecular formula C41H46ClFN6O5 and a molecular weight of 757.31 g/mol. Its IUPAC name is N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide
• PubChem CID: 164720164
• Molecular Formula: C41H46ClFN6O5
• Molecular Weight: 757.31 g/mol
• Exact Mass: 756.32
• IUPAC Name: N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide
• SMILES: COc1cc(-c2cn(C)c(=O)c3ccc(F)cc23)cc(Cl)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1
• InChI: InChI=1S/C41H46ClFN6O5/c1-46-23-33(32-22-28(43)6-9-31(32)40(46)52)27-20-35(42)34(37(21-27)54-3)24-48-16-14-30(15-17-48)47(2)41(53)49-18-12-26(13-19-49)25-4-7-29(8-5-25)44-36-10-11-38(50)45-39(36)51/h4-9,20-23,26,30,36,44H,10-19,24H2,1-3H3,(H,45,50,51)
• InChIKey: WAKPXWLBPZTRDZ-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 116.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	757.31
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide?

The IUPAC name of N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide (CID 164720164) is N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide.

What is the SMILES notation for N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide?

The canonical SMILES for N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide is COc1cc(-c2cn(C)c(=O)c3ccc(F)cc23)cc(Cl)c1CN1CCC(N(C)C(=O)N2CCC(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.

What is the InChIKey of N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide?

The InChIKey is WAKPXWLBPZTRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46ClFN6O5/c1-46-23-33(32-22-28(43)6-9-31(32)40(46)52)27-20-35(42)34(37(21-27)54-3)24-48-16-14-30(15-17-48)47(2)41(53)49-18-12-26(13-19-49)25-4-7-29(8-5-25)44-36-10-11-38(50)45-39(36)51/h4-9,20-23,26,30,36,44H,10-19,24H2,1-3H3,(H,45,50,51).

What are the key properties of N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide?

N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide has a molecular weight of 757.31 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[2-chloro-4-(6-fluoro-2-methyl-1-oxoisoquinolin-4-yl)-6-methoxyphenyl]methyl]piperidin-4-yl]-4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 164720164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).