4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C48H59FN8O8 — CID 170749770

About 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 170749770) has the molecular formula C48H59FN8O8 and a molecular weight of 895.05 g/mol. Its IUPAC name is 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 170749770
• Molecular Formula: C48H59FN8O8
• Molecular Weight: 895.05 g/mol
• Exact Mass: 894.44
• IUPAC Name: 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: CC(=O)N1CCC(COc2cc(F)c3c(=O)[nH]c(CCC4CCN(C(=O)C5CCN(CC6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)nc3c2)CC1
• InChI: InChI=1S/C48H59FN8O8/c1-29(58)54-19-13-32(14-20-54)28-65-34-25-36(49)43-37(26-34)50-40(51-45(43)61)7-5-30-9-23-56(24-10-30)46(62)33-15-17-53(18-16-33)27-31-11-21-55(22-12-31)38-4-2-3-35-42(38)48(64)57(47(35)63)39-6-8-41(59)52-44(39)60/h2-4,25-26,30-33,39H,5-24,27-28H2,1H3,(H,50,51,61)(H,52,59,60)
• InChIKey: MKGUWOPSFRDPAD-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 185.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.05
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 170749770) is 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CC(=O)N1CCC(COc2cc(F)c3c(=O)[nH]c(CCC4CCN(C(=O)C5CCN(CC6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)nc3c2)CC1.

What is the InChIKey of 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is MKGUWOPSFRDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59FN8O8/c1-29(58)54-19-13-32(14-20-54)28-65-34-25-36(49)43-37(26-34)50-40(51-45(43)61)7-5-30-9-23-56(24-10-30)46(62)33-15-17-53(18-16-33)27-31-11-21-55(22-12-31)38-4-2-3-35-42(38)48(64)57(47(35)63)39-6-8-41(59)52-44(39)60/h2-4,25-26,30-33,39H,5-24,27-28H2,1H3,(H,50,51,61)(H,52,59,60).

What are the key properties of 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 895.05 g/mol, XLogP of 3.90, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-[4-[2-[7-[(1-acetylpiperidin-4-yl)methoxy]-5-fluoro-4-oxo-3H-quinazolin-2-yl]ethyl]piperidine-1-carbonyl]piperidin-1-yl]methyl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 170749770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).