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;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

C210H222Cl3F2N35O39 — CID 165030690

IUPAC6-[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;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
SMILESC#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.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCNCCCC(=O)COc1c(C)cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1OC
InChIInChI=1S/C59H59ClN8O10.C55H59Cl2N9O11.C51H57FN10O10.C45H47FN8O8/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;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/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);5,9-12,18-22,25,37,47H,6-8,13-17,23-24H2,1-4H3,(H,48,49,50)(H,51,56,57)/b67-66+;63-62+;59-58+;53-52+
InChIKeyMPJBEUAKPZQYJU-RKVZUPLASA-N
MW4004.65 g/mol
LogP32.53
Rot. Bonds88

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;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

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;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 (PubChem CID 165030690) has the molecular formula C210H222Cl3F2N35O39 and a molecular weight of 4004.65 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;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.

Molecular Properties

Compound Name6-[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;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
PubChem CID165030690
Molecular FormulaC210H222Cl3F2N35O39
Molecular Weight4004.65 g/mol
Exact Mass4000.55
IUPAC Name6-[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;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
SMILESC#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.COc1cc2ncnc(Nc3ccc(F)c(C)c3)c2cc1OCCCNCCCC(=O)COc1c(C)cc(/N=N/c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1OC
InChIInChI=1S/C59H59ClN8O10.C55H59Cl2N9O11.C51H57FN10O10.C45H47FN8O8/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;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/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);5,9-12,18-22,25,37,47H,6-8,13-17,23-24H2,1-4H3,(H,48,49,50)(H,51,56,57)/b67-66+;63-62+;59-58+;53-52+
InChIKeyMPJBEUAKPZQYJU-RKVZUPLASA-N
XLogP32.53
TPSA872.23 Ų
H-Bond Donors12
H-Bond Acceptors62
Rotatable Bonds88
Heavy Atoms289
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004004.65
LogP ≤ 532.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1062

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'}

Analyze 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;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 with MolForge

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Related Compounds

4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxy]butanoyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile
CID 153339731
4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxybutanoyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile
CID 153339653
N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[7-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]heptanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide
CID 155777970
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl] 3-[4-[3-[3-cyano-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinolin-7-yl]oxypropyl]piperazin-1-yl]propanoate
CID 175470310
N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[3-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]propanoyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide
CID 155778012
4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfanylpentanoyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile
CID 153351711
4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[3-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]propanoyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile
CID 153339705
N-[1-[(E)-4-[[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]amino]-4-oxobut-2-enyl]piperidin-4-yl]-6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]hexanamide
CID 155778018
1'-[3-[2-[4-[3-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]oxypropyl]piperazin-1-yl]ethoxy]propanoyl]-7-(2,6-dioxopiperidin-3-yl)spiro[3,4-dihydropyrano[3,2-f]isoindole-2,4'-piperidine]-6,8-dione
CID 169103775
(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]ethoxy]acetyl]piperazin-1-yl]but-2-enamide
CID 165376624
4-(2,4-dichloro-5-methoxyanilino)-7-[3-[4-[3-[2-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]propoxy]ethoxy]propanoyl]piperazin-1-yl]propoxy]-6-methoxyquinoline-3-carbonitrile
CID 153339694
N-[4-(3-chloro-4-fluoroanilino)-7-[3-[4-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]butyl]piperazin-1-yl]propoxy]quinazolin-6-yl]prop-2-enamide
CID 155778105

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;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?
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;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 (CID 165030690) 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;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.
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;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?
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;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 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.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 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;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?
The InChIKey is MPJBEUAKPZQYJU-RKVZUPLASA-N. The full InChI is InChI=1S/C59H59ClN8O10.C55H59Cl2N9O11.C51H57FN10O10.C45H47FN8O8/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;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/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);5,9-12,18-22,25,37,47H,6-8,13-17,23-24H2,1-4H3,(H,48,49,50)(H,51,56,57)/b67-66+;63-62+;59-58+;53-52+.
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;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?
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;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 has a molecular weight of 4004.65 g/mol, XLogP of 32.53, 88 rotatable bonds, 12 hydrogen bond donors, and 62 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;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 is sourced from PubChem (CID 165030690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).