N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C146H154Cl2F2N26O27 — CID 165056606

About N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 165056606) has the molecular formula C146H154Cl2F2N26O27 and a molecular weight of 2813.89 g/mol. Its IUPAC name is N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 165056606
• Molecular Formula: C146H154Cl2F2N26O27
• Molecular Weight: 2813.89 g/mol
• Exact Mass: 2811.08
• IUPAC Name: N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: C#Cc1cnc2cc(OCCCN3CCN(C(=O)CCCCCNC(=O)COc4c(OC)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)CC3)c(OC)cc2c1Nc1cc(OC)c(Cl)cc1Cl.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(=O)COc2c(C)cc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2OC)CC1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCNCCCC(=O)COc1c(C)cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1OC
• InChI: InChI=1S/C55H59Cl2N9O11.C46H48FN9O8.C45H47FN8O8/c1-6-33-30-59-41-28-46(45(73-3)26-36(41)52(33)60-42-29-44(72-2)39(57)27-38(42)56)76-23-11-18-64-19-21-65(22-20-64)51(69)14-8-7-9-17-58-50(68)32-77-53-47(74-4)24-34(25-48(53)75-5)62-63-40-13-10-12-35-37(40)31-66(55(35)71)43-15-16-49(67)61-54(43)70;1-27-19-29(9-10-34(27)47)50-44-32-22-39(38(61-3)23-36(32)48-26-49-44)63-18-6-13-54-14-16-55(17-15-54)42(58)25-64-43-28(2)20-30(21-40(43)62-4)52-53-35-8-5-7-31-33(35)24-56(46(31)60)37-11-12-41(57)51-45(37)59;1-26-18-28(11-12-34(26)46)50-43-32-21-39(38(59-3)22-36(32)48-25-49-43)61-17-7-16-47-15-6-8-30(55)24-62-42-27(2)19-29(20-40(42)60-4)52-53-35-10-5-9-31-33(35)23-54(45(31)58)37-13-14-41(56)51-44(37)57/h1,10,12-13,24-30,43H,7-9,11,14-23,31-32H2,2-5H3,(H,58,68)(H,59,60)(H,61,67,70);5,7-10,19-23,26,37H,6,11-18,24-25H2,1-4H3,(H,48,49,50)(H,51,57,59);5,9-12,18-22,25,37,47H,6-8,13-17,23-24H2,1-4H3,(H,48,49,50)(H,51,56,57)/b63-62+;2*53-52+
• InChIKey: QNLVVYGJWWLDMW-DSJGOARUSA-N
• XLogP: 21.57
• TPSA: 608.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 44
• Rotatable Bonds: 57
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2813.89
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 165056606) is N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C#Cc1cnc2cc(OCCCN3CCN(C(=O)CCCCCNC(=O)COc4c(OC)cc(/N=N/c5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)cc4OC)CC3)c(OC)cc2c1Nc1cc(OC)c(Cl)cc1Cl.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(C(=O)COc2c(C)cc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2OC)CC1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCNCCCC(=O)COc1c(C)cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1OC.

What is the InChIKey of N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is QNLVVYGJWWLDMW-DSJGOARUSA-N. The full InChI is InChI=1S/C55H59Cl2N9O11.C46H48FN9O8.C45H47FN8O8/c1-6-33-30-59-41-28-46(45(73-3)26-36(41)52(33)60-42-29-44(72-2)39(57)27-38(42)56)76-23-11-18-64-19-21-65(22-20-64)51(69)14-8-7-9-17-58-50(68)32-77-53-47(74-4)24-34(25-48(53)75-5)62-63-40-13-10-12-35-37(40)31-66(55(35)71)43-15-16-49(67)61-54(43)70;1-27-19-29(9-10-34(27)47)50-44-32-22-39(38(61-3)23-36(32)48-26-49-44)63-18-6-13-54-14-16-55(17-15-54)42(58)25-64-43-28(2)20-30(21-40(43)62-4)52-53-35-8-5-7-31-33(35)24-56(46(31)60)37-11-12-41(57)51-45(37)59;1-26-18-28(11-12-34(26)46)50-43-32-21-39(38(59-3)22-36(32)48-25-49-43)61-17-7-16-47-15-6-8-30(55)24-62-42-27(2)19-29(20-40(42)60-4)52-53-35-10-5-9-31-33(35)23-54(45(31)58)37-13-14-41(56)51-44(37)57/h1,10,12-13,24-30,43H,7-9,11,14-23,31-32H2,2-5H3,(H,58,68)(H,59,60)(H,61,67,70);5,7-10,19-23,26,37H,6,11-18,24-25H2,1-4H3,(H,48,49,50)(H,51,57,59);5,9-12,18-22,25,37,47H,6-8,13-17,23-24H2,1-4H3,(H,48,49,50)(H,51,56,57)/b63-62+;2*53-52+.

What are the key properties of N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 2813.89 g/mol, XLogP of 21.57, 57 rotatable bonds, 8 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[3-[4-(2,4-dichloro-5-methoxyanilino)-3-ethynyl-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]-6-oxohexyl]-2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]acetamide;3-[7-[[4-[5-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropylamino]-2-oxopentoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-[2-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxy-5-methylphenyl]diazenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 165056606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).