6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide

C165H175Cl3FN27O31 — CID 165010986

About 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide

6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide (PubChem CID 165010986) has the molecular formula C165H175Cl3FN27O31 and a molecular weight of 3157.73 g/mol. Its IUPAC name is 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide.

Molecular Properties

• Compound Name: 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide
• PubChem CID: 165010986
• Molecular Formula: C165H175Cl3FN27O31
• Molecular Weight: 3157.73 g/mol
• Exact Mass: 3154.20
• IUPAC Name: 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide
• 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.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCNC(=O)CCCCCc1ccc(-c2cc3c(Nc4ccc(OCc5cccc(C)c5)c(Cl)c4)ncnc3cc2C)o1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(CC(=O)CCCNC(=O)COc2c(OC)cc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2OC)CC1
• InChI: InChI=1S/C59H59ClN8O10.C55H59Cl2N9O11.C51H57FN10O10/c1-35-11-8-12-37(25-35)32-76-51-21-18-38(27-46(51)60)64-57-44-30-43(36(2)26-48(44)62-34-63-57)50-22-19-41(78-50)14-6-5-7-17-54(70)61-24-10-13-40(69)33-77-56-52(74-3)28-39(29-53(56)75-4)66-67-47-16-9-15-42-45(47)31-68(59(42)73)49-20-23-55(71)65-58(49)72;1-6-33-30-59-41-28-46(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;1-31-22-32(11-12-38(31)52)56-49-36-25-43(42(68-2)26-40(36)54-30-55-49)71-21-7-16-60-17-19-61(20-18-60)27-34(63)8-6-15-53-47(65)29-72-48-44(69-3)23-33(24-45(48)70-4)58-59-39-10-5-9-35-37(39)28-62(51(35)67)41-13-14-46(64)57-50(41)66/h8-9,11-12,15-16,18-19,21-22,25-30,34,49H,5-7,10,13-14,17,20,23-24,31-33H2,1-4H3,(H,61,70)(H,62,63,64)(H,65,71,72);1,10,12-13,24-30,43H,7-9,11,14-23,31-32H2,2-5H3,(H,58,68)(H,59,60)(H,61,67,70);5,9-12,22-26,30,41H,6-8,13-21,27-29H2,1-4H3,(H,53,65)(H,54,55,56)(H,57,64,66)/b67-66+;63-62+;59-58+
• InChIKey: JRVSGBGEUWVNDB-MRWRVBNZSA-N
• XLogP: 25.42
• TPSA: 677.20 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 69
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3157.73
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

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 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide?

The IUPAC name of 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide (CID 165010986) is 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide.

What is the SMILES notation for 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide?

The canonical SMILES for 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide 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.COc1cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc(OC)c1OCC(=O)CCCNC(=O)CCCCCc1ccc(-c2cc3c(Nc4ccc(OCc5cccc(C)c5)c(Cl)c4)ncnc3cc2C)o1.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCN1CCN(CC(=O)CCCNC(=O)COc2c(OC)cc(/N=N/c3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2OC)CC1.

What is the InChIKey of 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide?

The InChIKey is JRVSGBGEUWVNDB-MRWRVBNZSA-N. The full InChI is InChI=1S/C59H59ClN8O10.C55H59Cl2N9O11.C51H57FN10O10/c1-35-11-8-12-37(25-35)32-76-51-21-18-38(27-46(51)60)64-57-44-30-43(36(2)26-48(44)62-34-63-57)50-22-19-41(78-50)14-6-5-7-17-54(70)61-24-10-13-40(69)33-77-56-52(74-3)28-39(29-53(56)75-4)66-67-47-16-9-15-42-45(47)31-68(59(42)73)49-20-23-55(71)65-58(49)72;1-6-33-30-59-41-28-46(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;1-31-22-32(11-12-38(31)52)56-49-36-25-43(42(68-2)26-40(36)54-30-55-49)71-21-7-16-60-17-19-61(20-18-60)27-34(63)8-6-15-53-47(65)29-72-48-44(69-3)23-33(24-45(48)70-4)58-59-39-10-5-9-35-37(39)28-62(51(35)67)41-13-14-46(64)57-50(41)66/h8-9,11-12,15-16,18-19,21-22,25-30,34,49H,5-7,10,13-14,17,20,23-24,31-33H2,1-4H3,(H,61,70)(H,62,63,64)(H,65,71,72);1,10,12-13,24-30,43H,7-9,11,14-23,31-32H2,2-5H3,(H,58,68)(H,59,60)(H,61,67,70);5,9-12,22-26,30,41H,6-8,13-21,27-29H2,1-4H3,(H,53,65)(H,54,55,56)(H,57,64,66)/b67-66+;63-62+;59-58+.

What are the key properties of 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide?

6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide has a molecular weight of 3157.73 g/mol, XLogP of 25.42, 69 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-[3-chloro-4-[(3-methylphenyl)methoxy]anilino]-7-methylquinazolin-6-yl]furan-2-yl]-N-[5-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-4-oxopentyl]hexanamide;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;2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]diazenyl]-2,6-dimethoxyphenoxy]-N-[5-[4-[3-[4-(4-fluoro-3-methylanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]-4-oxopentyl]acetamide is sourced from PubChem (CID 165010986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).