2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide

C220H244Cl2N54O16S10+10 — CID 158306405

IUPAC2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
SMILESCCN(CCO)c1ccc(/N=N/c2cc[n+](CC(=O)NCCSSCCNC(=O)C[n+]3ccc(/N=N/c4ccc(N(CC)CCO)cc4)c4ccccc43)c3ccccc23)cc1.CC[n+]1ccc(/N=N/c2ccc(Nc3nc(Cl)nc(NCCSSCCNc4nc(Cl)nc(Nc5ccc(/N=N/c6cc[n+](CC)c7ccccc67)cc5)n4)n3)cc2)c2ccccc21.CN(C)c1ccc(/N=N/c2cc[n+](CC(=O)NCCSSCCNC(=O)C[n+]3ccc(/N=N/c4ccc(N(C)C)cc4)c4ccccc43)c3ccccc23)cc1.O=C(C[n+]1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)c2ccccc21)NCCSSCCNC(=O)C[n+]1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)c2ccccc21.OCCN(CCO)c1ccc(/N=N/c2cc[n+](CCSSCC[n+]3ccc(/N=N/c4ccc(N(CCO)CCO)cc4)c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C46H52N10O6S2.C46H52N10O4S2.C44H40Cl2N16S2.C42H44N10O2S2.C42H48N8O4S2/c57-27-23-53(24-28-58)37-13-9-35(10-14-37)49-51-41-17-21-55(43-7-3-1-5-39(41)43)33-45(61)47-19-31-63-64-32-20-48-46(62)34-56-22-18-42(40-6-2-4-8-44(40)56)52-50-36-11-15-38(16-12-36)54(25-29-59)26-30-60;1-3-53(27-29-57)37-17-13-35(14-18-37)49-51-41-21-25-55(43-11-7-5-9-39(41)43)33-45(59)47-23-31-61-62-32-24-48-46(60)34-56-26-22-42(40-10-6-8-12-44(40)56)52-50-36-15-19-38(20-16-36)54(4-2)28-30-58;1-3-61-25-21-35(33-9-5-7-11-37(33)61)59-57-31-17-13-29(14-18-31)49-43-53-39(45)51-41(55-43)47-23-27-63-64-28-24-48-42-52-40(46)54-44(56-42)50-30-15-19-32(20-16-30)58-60-36-22-26-62(4-2)38-12-8-6-10-34(36)38;1-49(2)33-17-13-31(14-18-33)45-47-37-21-25-51(39-11-7-5-9-35(37)39)29-41(53)43-23-27-55-56-28-24-44-42(54)30-52-26-22-38(36-10-6-8-12-40(36)52)48-46-32-15-19-34(20-16-32)50(3)4;51-27-21-47(22-28-52)35-13-9-33(10-14-35)43-45-39-17-19-49(41-7-3-1-5-37(39)41)25-31-55-56-32-26-50-20-18-40(38-6-2-4-8-42(38)50)46-44-34-11-15-36(16-12-34)48(23-29-53)24-30-54/h1-18,21-22,57-60H,19-20,23-34H2;5-22,25-26,57-58H,3-4,23-24,27-34H2,1-2H3;5-22,25-26H,3-4,23-24,27-28H2,1-2H3,(H2,47,48,51,52,53,54,55,56);5-22,25-26H,23-24,27-30H2,1-4H3;1-20,51-54H,21-32H2/q;;;;+2/p+8
InChIKeyGNDCCBVOMKXJJV-UHFFFAOYSA-V
MW4292.31 g/mol
LogP39.06
Rot. Bonds105

About 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide

2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide (PubChem CID 158306405) has the molecular formula C220H244Cl2N54O16S10+10 and a molecular weight of 4292.31 g/mol. Its IUPAC name is 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
PubChem CID158306405
Molecular FormulaC220H244Cl2N54O16S10+10
Molecular Weight4292.31 g/mol
Exact Mass4287.65
IUPAC Name2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide
SMILESCCN(CCO)c1ccc(/N=N/c2cc[n+](CC(=O)NCCSSCCNC(=O)C[n+]3ccc(/N=N/c4ccc(N(CC)CCO)cc4)c4ccccc43)c3ccccc23)cc1.CC[n+]1ccc(/N=N/c2ccc(Nc3nc(Cl)nc(NCCSSCCNc4nc(Cl)nc(Nc5ccc(/N=N/c6cc[n+](CC)c7ccccc67)cc5)n4)n3)cc2)c2ccccc21.CN(C)c1ccc(/N=N/c2cc[n+](CC(=O)NCCSSCCNC(=O)C[n+]3ccc(/N=N/c4ccc(N(C)C)cc4)c4ccccc43)c3ccccc23)cc1.O=C(C[n+]1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)c2ccccc21)NCCSSCCNC(=O)C[n+]1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)c2ccccc21.OCCN(CCO)c1ccc(/N=N/c2cc[n+](CCSSCC[n+]3ccc(/N=N/c4ccc(N(CCO)CCO)cc4)c4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C46H52N10O6S2.C46H52N10O4S2.C44H40Cl2N16S2.C42H44N10O2S2.C42H48N8O4S2/c57-27-23-53(24-28-58)37-13-9-35(10-14-37)49-51-41-17-21-55(43-7-3-1-5-39(41)43)33-45(61)47-19-31-63-64-32-20-48-46(62)34-56-22-18-42(40-6-2-4-8-44(40)56)52-50-36-11-15-38(16-12-36)54(25-29-59)26-30-60;1-3-53(27-29-57)37-17-13-35(14-18-37)49-51-41-21-25-55(43-11-7-5-9-39(41)43)33-45(59)47-23-31-61-62-32-24-48-46(60)34-56-26-22-42(40-10-6-8-12-44(40)56)52-50-36-15-19-38(20-16-36)54(4-2)28-30-58;1-3-61-25-21-35(33-9-5-7-11-37(33)61)59-57-31-17-13-29(14-18-31)49-43-53-39(45)51-41(55-43)47-23-27-63-64-28-24-48-42-52-40(46)54-44(56-42)50-30-15-19-32(20-16-30)58-60-36-22-26-62(4-2)38-12-8-6-10-34(36)38;1-49(2)33-17-13-31(14-18-33)45-47-37-21-25-51(39-11-7-5-9-35(37)39)29-41(53)43-23-27-55-56-28-24-44-42(54)30-52-26-22-38(36-10-6-8-12-40(36)52)48-46-32-15-19-34(20-16-32)50(3)4;51-27-21-47(22-28-52)35-13-9-33(10-14-35)43-45-39-17-19-49(41-7-3-1-5-37(39)41)25-31-55-56-32-26-50-20-18-40(38-6-2-4-8-42(38)50)46-44-34-11-15-36(16-12-34)48(23-29-53)24-30-54/h1-18,21-22,57-60H,19-20,23-34H2;5-22,25-26,57-58H,3-4,23-24,27-34H2,1-2H3;5-22,25-26H,3-4,23-24,27-28H2,1-2H3,(H2,47,48,51,52,53,54,55,56);5-22,25-26H,23-24,27-30H2,1-4H3;1-20,51-54H,21-32H2/q;;;;+2/p+8
InChIKeyGNDCCBVOMKXJJV-UHFFFAOYSA-V
XLogP39.06
TPSA814.28 Ų
H-Bond Donors20
H-Bond Acceptors64
Rotatable Bonds105
Heavy Atoms302
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004292.31
LogP ≤ 539.06
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1064

Analyze 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The IUPAC name of 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide (CID 158306405) is 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide is CCN(CCO)c1ccc(/N=N/c2cc[n+](CC(=O)NCCSSCCNC(=O)C[n+]3ccc(/N=N/c4ccc(N(CC)CCO)cc4)c4ccccc43)c3ccccc23)cc1.CC[n+]1ccc(/N=N/c2ccc(Nc3nc(Cl)nc(NCCSSCCNc4nc(Cl)nc(Nc5ccc(/N=N/c6cc[n+](CC)c7ccccc67)cc5)n4)n3)cc2)c2ccccc21.CN(C)c1ccc(/N=N/c2cc[n+](CC(=O)NCCSSCCNC(=O)C[n+]3ccc(/N=N/c4ccc(N(C)C)cc4)c4ccccc43)c3ccccc23)cc1.O=C(C[n+]1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)c2ccccc21)NCCSSCCNC(=O)C[n+]1ccc(/N=N/c2ccc(N(CCO)CCO)cc2)c2ccccc21.OCCN(CCO)c1ccc(/N=N/c2cc[n+](CCSSCC[n+]3ccc(/N=N/c4ccc(N(CCO)CCO)cc4)c4ccccc43)c3ccccc23)cc1.
What is the InChIKey of 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
The InChIKey is GNDCCBVOMKXJJV-UHFFFAOYSA-V. The full InChI is InChI=1S/C46H52N10O6S2.C46H52N10O4S2.C44H40Cl2N16S2.C42H44N10O2S2.C42H48N8O4S2/c57-27-23-53(24-28-58)37-13-9-35(10-14-37)49-51-41-17-21-55(43-7-3-1-5-39(41)43)33-45(61)47-19-31-63-64-32-20-48-46(62)34-56-22-18-42(40-6-2-4-8-44(40)56)52-50-36-11-15-38(16-12-36)54(25-29-59)26-30-60;1-3-53(27-29-57)37-17-13-35(14-18-37)49-51-41-21-25-55(43-11-7-5-9-39(41)43)33-45(59)47-23-31-61-62-32-24-48-46(60)34-56-26-22-42(40-10-6-8-12-44(40)56)52-50-36-15-19-38(20-16-36)54(4-2)28-30-58;1-3-61-25-21-35(33-9-5-7-11-37(33)61)59-57-31-17-13-29(14-18-31)49-43-53-39(45)51-41(55-43)47-23-27-63-64-28-24-48-42-52-40(46)54-44(56-42)50-30-15-19-32(20-16-30)58-60-36-22-26-62(4-2)38-12-8-6-10-34(36)38;1-49(2)33-17-13-31(14-18-33)45-47-37-21-25-51(39-11-7-5-9-35(37)39)29-41(53)43-23-27-55-56-28-24-44-42(54)30-52-26-22-38(36-10-6-8-12-40(36)52)48-46-32-15-19-34(20-16-32)50(3)4;51-27-21-47(22-28-52)35-13-9-33(10-14-35)43-45-39-17-19-49(41-7-3-1-5-37(39)41)25-31-55-56-32-26-50-20-18-40(38-6-2-4-8-42(38)50)46-44-34-11-15-36(16-12-34)48(23-29-53)24-30-54/h1-18,21-22,57-60H,19-20,23-34H2;5-22,25-26,57-58H,3-4,23-24,27-34H2,1-2H3;5-22,25-26H,3-4,23-24,27-28H2,1-2H3,(H2,47,48,51,52,53,54,55,56);5-22,25-26H,23-24,27-30H2,1-4H3;1-20,51-54H,21-32H2/q;;;;+2/p+8.
What are the key properties of 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide?
2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide has a molecular weight of 4292.31 g/mol, XLogP of 39.06, 105 rotatable bonds, 20 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[1-[2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]ethyldisulfanyl]ethyl]quinolin-1-ium-4-yl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;6-chloro-4-N-[2-[2-[[4-chloro-6-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]anilino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl]-2-N-[4-[(1-ethylquinolin-1-ium-4-yl)diazenyl]phenyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-(dimethylamino)phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide;2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]-N-[2-[2-[[2-[4-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]quinolin-1-ium-1-yl]acetyl]amino]ethyldisulfanyl]ethyl]acetamide is sourced from PubChem (CID 158306405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).