4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C119H119F4N15O31 — CID 157462607

About 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 157462607) has the molecular formula C119H119F4N15O31 and a molecular weight of 2331.33 g/mol. Its IUPAC name is 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 157462607
• Molecular Formula: C119H119F4N15O31
• Molecular Weight: 2331.33 g/mol
• Exact Mass: 2329.81
• IUPAC Name: 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• SMILES: COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCCOCCCCOCCC(=O)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCOCCCOCCC(=O)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C53H54F2N6O13.C51H50F2N6O13.C15H15N3O5/c1-69-43-30-36-38(56-21-17-40(36)74-41-15-13-34(29-37(41)55)59-52(68)53(19-20-53)51(67)58-33-11-9-32(54)10-12-33)31-44(43)72-26-5-4-24-70-23-2-3-25-71-27-18-45(62)57-22-28-73-42-8-6-7-35-47(42)50(66)61(49(35)65)39-14-16-46(63)60-48(39)64;1-67-41-28-34-36(54-19-15-38(34)72-39-13-11-32(27-35(39)53)57-50(66)51(17-18-51)49(65)56-31-9-7-30(52)8-10-31)29-42(41)70-24-4-23-68-21-3-22-69-25-16-43(60)55-20-26-71-40-6-2-5-33-45(40)48(64)59(47(33)63)37-12-14-44(61)58-46(37)62;16-6-7-23-10-3-1-2-8-12(10)15(22)18(14(8)21)9-4-5-11(19)17-13(9)20/h6-13,15,17,21,29-31,39H,2-5,14,16,18-20,22-28H2,1H3,(H,57,62)(H,58,67)(H,59,68)(H,60,63,64);2,5-11,13,15,19,27-29,37H,3-4,12,14,16-18,20-26H2,1H3,(H,55,60)(H,56,65)(H,57,66)(H,58,61,62);1-3,9H,4-7,16H2,(H,17,19,20)
• InChIKey: BUCHYURHVOYNSV-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 597.04 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 54
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.33
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 157462607) is 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCCOCCCCOCCC(=O)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCOCCCOCCC(=O)NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.NCCOc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is BUCHYURHVOYNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54F2N6O13.C51H50F2N6O13.C15H15N3O5/c1-69-43-30-36-38(56-21-17-40(36)74-41-15-13-34(29-37(41)55)59-52(68)53(19-20-53)51(67)58-33-11-9-32(54)10-12-33)31-44(43)72-26-5-4-24-70-23-2-3-25-71-27-18-45(62)57-22-28-73-42-8-6-7-35-47(42)50(66)61(49(35)65)39-14-16-46(63)60-48(39)64;1-67-41-28-34-36(54-19-15-38(34)72-39-13-11-32(27-35(39)53)57-50(66)51(17-18-51)49(65)56-31-9-7-30(52)8-10-31)29-42(41)70-24-4-23-68-21-3-22-69-25-16-43(60)55-20-26-71-40-6-2-5-33-45(40)48(64)59(47(33)63)37-12-14-44(61)58-46(37)62;16-6-7-23-10-3-1-2-8-12(10)15(22)18(14(8)21)9-4-5-11(19)17-13(9)20/h6-13,15,17,21,29-31,39H,2-5,14,16,18-20,22-28H2,1H3,(H,57,62)(H,58,67)(H,59,68)(H,60,63,64);2,5-11,13,15,19,27-29,37H,3-4,12,14,16-18,20-26H2,1H3,(H,55,60)(H,56,65)(H,57,66)(H,58,61,62);1-3,9H,4-7,16H2,(H,17,19,20).

What are the key properties of 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?

4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 2331.33 g/mol, XLogP of 11.91, 54 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-aminoethoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;1-N'-[4-[7-[4-[4-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]butoxy]butoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;1-N'-[4-[7-[3-[3-[3-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethylamino]-3-oxopropoxy]propoxy]propoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 157462607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).