2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione

C223H244Cl8N50O32S2 — CID 160806631

IUPAC2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
SMILESCCCCCC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C(=O)c3ccccc3)cc2)cc(C(=O)CCCCN(CC)CC)c1.CCCCOC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc(C(=O)OCCCN(CC)CC)c1.CCCCOc1nc(Nc2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)nc(OCCCN(CC)CC)n1.CN(C)CCCNc1nc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)C(c3ccc5ccccc5n3)C4=O)cc2)nc(NCCCN(C)C)n1.CN(C)CCCNc1nc(NCCCN(C)C)nc(Nc2ccc(Nc3cccc4ccc(C5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)nc34)cc2)n1.CS(=O)(=O)Nc1ccc(Cc2nc(NCCN3CCOCC3)nc(=O)[nH]2)cc1.O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C1c1ccc2ccccc2n1.O=S=O
InChIInChI=1S/C44H49N7O6.C39H43N9O3.C37H38Cl4N10O2.C37H43N7O8.C31H40N10O5.C18H7Cl4NO2.C17H24N6O4S.O2S/c1-4-7-9-16-38(52)31-25-32(39(53)17-12-13-24-51(5-2)6-3)27-35(26-31)46-42(55)30-18-20-33(21-19-30)49-50-40(41(54)29-14-10-8-11-15-29)43(56)45-34-22-23-36-37(28-34)48-44(57)47-36;1-47(2)21-7-19-40-38-44-33(45-39(46-38)41-20-8-22-48(3)4)23-25-11-15-28(16-12-25)42-37(51)27-13-17-29-30(24-27)36(50)34(35(29)49)32-18-14-26-9-5-6-10-31(26)43-32;1-50(2)18-6-16-42-35-47-36(43-17-7-19-51(3)4)49-37(48-35)45-22-13-11-21(12-14-22)44-24-9-5-8-20-10-15-23(46-32(20)24)25-33(52)26-27(34(25)53)29(39)31(41)30(40)28(26)38;1-5-8-17-51-35(48)25-19-26(36(49)52-18-9-16-44(6-2)7-3)21-29(20-25)39-33(46)24-10-12-27(13-11-24)42-43-32(23(4)45)34(47)38-28-14-15-30-31(22-28)41-37(50)40-30;1-5-8-17-45-30-36-28(37-31(38-30)46-18-9-16-41(6-2)7-3)33-21-10-12-22(13-11-21)39-40-26(20(4)42)27(43)32-23-14-15-24-25(19-23)35-29(44)34-24;19-13-11-12(14(20)16(22)15(13)21)18(25)10(17(11)24)9-6-5-7-3-1-2-4-8(7)23-9;1-28(25,26)22-14-4-2-13(3-5-14)12-15-19-16(21-17(24)20-15)18-6-7-23-8-10-27-11-9-23;1-3-2/h8,10-11,14-15,18-23,25-28,40H,4-7,9,12-13,16-17,24H2,1-3H3,(H,45,56)(H,46,55)(H2,47,48,57);5-6,9-18,24,34H,7-8,19-23H2,1-4H3,(H,42,51)(H2,40,41,44,45,46);5,8-15,25,44H,6-7,16-19H2,1-4H3,(H3,42,43,45,47,48,49);10-15,19-22,32H,5-9,16-18H2,1-4H3,(H,38,47)(H,39,46)(H2,40,41,50);10-15,19,26H,5-9,16-18H2,1-4H3,(H,32,43)(H2,34,35,44)(H,33,36,37,38);1-6,10H;2-5,22H,6-12H2,1H3,(H2,18,19,20,21,24);/b50-49+;;;43-42+;40-39+;;;
InChIKeySDTUKCBBDMNPBB-ZBJUUCQZSA-N
MW4484.48 g/mol
LogP37.70
Rot. Bonds96

About 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione

2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione (PubChem CID 160806631) has the molecular formula C223H244Cl8N50O32S2 and a molecular weight of 4484.48 g/mol. Its IUPAC name is 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione.

Molecular Properties

Compound Name2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
PubChem CID160806631
Molecular FormulaC223H244Cl8N50O32S2
Molecular Weight4484.48 g/mol
Exact Mass4477.60
IUPAC Name2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione
SMILESCCCCCC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C(=O)c3ccccc3)cc2)cc(C(=O)CCCCN(CC)CC)c1.CCCCOC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc(C(=O)OCCCN(CC)CC)c1.CCCCOc1nc(Nc2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)nc(OCCCN(CC)CC)n1.CN(C)CCCNc1nc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)C(c3ccc5ccccc5n3)C4=O)cc2)nc(NCCCN(C)C)n1.CN(C)CCCNc1nc(NCCCN(C)C)nc(Nc2ccc(Nc3cccc4ccc(C5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)nc34)cc2)n1.CS(=O)(=O)Nc1ccc(Cc2nc(NCCN3CCOCC3)nc(=O)[nH]2)cc1.O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C1c1ccc2ccccc2n1.O=S=O
InChIInChI=1S/C44H49N7O6.C39H43N9O3.C37H38Cl4N10O2.C37H43N7O8.C31H40N10O5.C18H7Cl4NO2.C17H24N6O4S.O2S/c1-4-7-9-16-38(52)31-25-32(39(53)17-12-13-24-51(5-2)6-3)27-35(26-31)46-42(55)30-18-20-33(21-19-30)49-50-40(41(54)29-14-10-8-11-15-29)43(56)45-34-22-23-36-37(28-34)48-44(57)47-36;1-47(2)21-7-19-40-38-44-33(45-39(46-38)41-20-8-22-48(3)4)23-25-11-15-28(16-12-25)42-37(51)27-13-17-29-30(24-27)36(50)34(35(29)49)32-18-14-26-9-5-6-10-31(26)43-32;1-50(2)18-6-16-42-35-47-36(43-17-7-19-51(3)4)49-37(48-35)45-22-13-11-21(12-14-22)44-24-9-5-8-20-10-15-23(46-32(20)24)25-33(52)26-27(34(25)53)29(39)31(41)30(40)28(26)38;1-5-8-17-51-35(48)25-19-26(36(49)52-18-9-16-44(6-2)7-3)21-29(20-25)39-33(46)24-10-12-27(13-11-24)42-43-32(23(4)45)34(47)38-28-14-15-30-31(22-28)41-37(50)40-30;1-5-8-17-45-30-36-28(37-31(38-30)46-18-9-16-41(6-2)7-3)33-21-10-12-22(13-11-21)39-40-26(20(4)42)27(43)32-23-14-15-24-25(19-23)35-29(44)34-24;19-13-11-12(14(20)16(22)15(13)21)18(25)10(17(11)24)9-6-5-7-3-1-2-4-8(7)23-9;1-28(25,26)22-14-4-2-13(3-5-14)12-15-19-16(21-17(24)20-15)18-6-7-23-8-10-27-11-9-23;1-3-2/h8,10-11,14-15,18-23,25-28,40H,4-7,9,12-13,16-17,24H2,1-3H3,(H,45,56)(H,46,55)(H2,47,48,57);5-6,9-18,24,34H,7-8,19-23H2,1-4H3,(H,42,51)(H2,40,41,44,45,46);5,8-15,25,44H,6-7,16-19H2,1-4H3,(H3,42,43,45,47,48,49);10-15,19-22,32H,5-9,16-18H2,1-4H3,(H,38,47)(H,39,46)(H2,40,41,50);10-15,19,26H,5-9,16-18H2,1-4H3,(H,32,43)(H2,34,35,44)(H,33,36,37,38);1-6,10H;2-5,22H,6-12H2,1H3,(H2,18,19,20,21,24);/b50-49+;;;43-42+;40-39+;;;
InChIKeySDTUKCBBDMNPBB-ZBJUUCQZSA-N
XLogP37.70
TPSA1078.56 Ų
H-Bond Donors22
H-Bond Acceptors68
Rotatable Bonds96
Heavy Atoms315
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004484.48
LogP ≤ 537.70
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1068

Analyze 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione?
The IUPAC name of 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione (CID 160806631) is 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione.
What is the SMILES notation for 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione?
The canonical SMILES for 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione is CCCCCC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C(=O)c3ccccc3)cc2)cc(C(=O)CCCCN(CC)CC)c1.CCCCOC(=O)c1cc(NC(=O)c2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)cc(C(=O)OCCCN(CC)CC)c1.CCCCOc1nc(Nc2ccc(/N=N/C(C(C)=O)C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2)nc(OCCCN(CC)CC)n1.CN(C)CCCNc1nc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)C(c3ccc5ccccc5n3)C4=O)cc2)nc(NCCCN(C)C)n1.CN(C)CCCNc1nc(NCCCN(C)C)nc(Nc2ccc(Nc3cccc4ccc(C5C(=O)c6c(Cl)c(Cl)c(Cl)c(Cl)c6C5=O)nc34)cc2)n1.CS(=O)(=O)Nc1ccc(Cc2nc(NCCN3CCOCC3)nc(=O)[nH]2)cc1.O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C1c1ccc2ccccc2n1.O=S=O.
What is the InChIKey of 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione?
The InChIKey is SDTUKCBBDMNPBB-ZBJUUCQZSA-N. The full InChI is InChI=1S/C44H49N7O6.C39H43N9O3.C37H38Cl4N10O2.C37H43N7O8.C31H40N10O5.C18H7Cl4NO2.C17H24N6O4S.O2S/c1-4-7-9-16-38(52)31-25-32(39(53)17-12-13-24-51(5-2)6-3)27-35(26-31)46-42(55)30-18-20-33(21-19-30)49-50-40(41(54)29-14-10-8-11-15-29)43(56)45-34-22-23-36-37(28-34)48-44(57)47-36;1-47(2)21-7-19-40-38-44-33(45-39(46-38)41-20-8-22-48(3)4)23-25-11-15-28(16-12-25)42-37(51)27-13-17-29-30(24-27)36(50)34(35(29)49)32-18-14-26-9-5-6-10-31(26)43-32;1-50(2)18-6-16-42-35-47-36(43-17-7-19-51(3)4)49-37(48-35)45-22-13-11-21(12-14-22)44-24-9-5-8-20-10-15-23(46-32(20)24)25-33(52)26-27(34(25)53)29(39)31(41)30(40)28(26)38;1-5-8-17-51-35(48)25-19-26(36(49)52-18-9-16-44(6-2)7-3)21-29(20-25)39-33(46)24-10-12-27(13-11-24)42-43-32(23(4)45)34(47)38-28-14-15-30-31(22-28)41-37(50)40-30;1-5-8-17-45-30-36-28(37-31(38-30)46-18-9-16-41(6-2)7-3)33-21-10-12-22(13-11-21)39-40-26(20(4)42)27(43)32-23-14-15-24-25(19-23)35-29(44)34-24;19-13-11-12(14(20)16(22)15(13)21)18(25)10(17(11)24)9-6-5-7-3-1-2-4-8(7)23-9;1-28(25,26)22-14-4-2-13(3-5-14)12-15-19-16(21-17(24)20-15)18-6-7-23-8-10-27-11-9-23;1-3-2/h8,10-11,14-15,18-23,25-28,40H,4-7,9,12-13,16-17,24H2,1-3H3,(H,45,56)(H,46,55)(H2,47,48,57);5-6,9-18,24,34H,7-8,19-23H2,1-4H3,(H,42,51)(H2,40,41,44,45,46);5,8-15,25,44H,6-7,16-19H2,1-4H3,(H3,42,43,45,47,48,49);10-15,19-22,32H,5-9,16-18H2,1-4H3,(H,38,47)(H,39,46)(H2,40,41,50);10-15,19,26H,5-9,16-18H2,1-4H3,(H,32,43)(H2,34,35,44)(H,33,36,37,38);1-6,10H;2-5,22H,6-12H2,1H3,(H2,18,19,20,21,24);/b50-49+;;;43-42+;40-39+;;;.
What are the key properties of 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione?
2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione has a molecular weight of 4484.48 g/mol, XLogP of 37.70, 96 rotatable bonds, 22 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]amino]anilino]quinolin-2-yl]-4,5,6,7-tetrachloroindene-1,3-dione;N-[4-[[4,6-bis[3-(dimethylamino)propylamino]-1,3,5-triazin-2-yl]methyl]phenyl]-1,3-dioxo-2-quinolin-2-ylindene-5-carboxamide;2-[[4-[[4-butoxy-6-[3-(diethylamino)propoxy]-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;1-O-butyl 3-O-[3-(diethylamino)propyl] 5-[[4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]benzoyl]amino]benzene-1,3-dicarboxylate;N-[3-[5-(diethylamino)pentanoyl]-5-hexanoylphenyl]-4-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-phenylpropan-2-yl]diazenyl]benzamide;N-[4-[[4-(2-morpholin-4-ylethylamino)-6-oxo-1H-1,3,5-triazin-2-yl]methyl]phenyl]methanesulfonamide;sulfur dioxide;4,5,6,7-tetrachloro-2-quinolin-2-ylindene-1,3-dione is sourced from PubChem (CID 160806631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).