6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate

C205H265Cl3F6N36O22+2 — CID 158503665

IUPAC6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate
SMILESC.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)Cc3cc(C(=O)Nc4cc(C(=O)NCCCCCNC(=O)CCCCC[n+]5c6cc(N(C)C)ccc6cc6ccc(N(C)C)cc65)n(C)c4)n(C)c3)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)Cc3cc(C(=O)Nc4cc(C(=O)O)n(C)c4)n(C)c3)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCCCC[NH3+])c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)O)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)cn2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.FC(F)F.O=C([O-])C(F)(F)F.O=C[O-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C64H81N11O4.C36H43N7O4.C36H42N6O4.C28H41N5O.C23H29N3O2.C13H16N4O3.C2HF3O2.CHF3.CH2O2.CH4.3ClH/c1-68(2)51-26-22-46-36-47-23-27-52(69(3)4)40-57(47)74(56(46)39-51)32-18-11-14-20-55(76)34-45-35-60(72(9)43-45)64(79)67-50-38-61(73(10)44-50)63(78)66-31-17-13-16-30-65-62(77)21-15-12-19-33-75-58-41-53(70(5)6)28-24-48(58)37-49-25-29-54(71(7)8)42-59(49)75;1-39(2)28-14-12-24-17-25-13-15-29(40(3)4)21-31(25)43(30(24)20-28)16-10-8-9-11-34(44)37-26-18-32(41(5)22-26)35(45)38-27-19-33(36(46)47-7)42(6)23-27;1-38(2)28-13-11-25-18-26-12-14-29(39(3)4)21-32(26)42(31(25)20-28)15-9-7-8-10-30(43)16-24-17-33(40(5)22-24)35(44)37-27-19-34(36(45)46)41(6)23-27;1-31(2)24-14-12-22-19-23-13-15-25(32(3)4)21-27(23)33(26(22)20-24)18-10-5-7-11-28(34)30-17-9-6-8-16-29;1-24(2)19-11-9-17-14-18-10-12-20(25(3)4)16-22(18)26(21(17)15-19)13-7-5-6-8-23(27)28;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;3-2(4,5)1(6)7;2-1(3)4;2-1-3;;;;/h22-29,35-44H,11-21,30-34H2,1-10H3,(H-2,65,66,67,77,78,79);12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);11-14,17-23H,7-10,15-16H2,1-6H3,(H-,37,44,45,46);12-15,19-21H,5-11,16-18,29H2,1-4H3;9-12,14-16H,5-8,13H2,1-4H3;4-7H,14H2,1-3H3,(H,15,18);(H,6,7);1H;1H,(H,2,3);1H4;3*1H/p+2
InChIKeyOGOVYURSXWCHFE-UHFFFAOYSA-P
MW3805.95 g/mol
LogP19.49
Rot. Bonds76

About 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate

6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate (PubChem CID 158503665) has the molecular formula C205H265Cl3F6N36O22+2 and a molecular weight of 3805.95 g/mol. Its IUPAC name is 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate.

Molecular Properties

Compound Name6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate
PubChem CID158503665
Molecular FormulaC205H265Cl3F6N36O22+2
Molecular Weight3805.95 g/mol
Exact Mass3801.97
IUPAC Name6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate
SMILESC.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)Cc3cc(C(=O)Nc4cc(C(=O)NCCCCCNC(=O)CCCCC[n+]5c6cc(N(C)C)ccc6cc6ccc(N(C)C)cc65)n(C)c4)n(C)c3)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)Cc3cc(C(=O)Nc4cc(C(=O)O)n(C)c4)n(C)c3)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCCCC[NH3+])c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)O)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)cn2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.FC(F)F.O=C([O-])C(F)(F)F.O=C[O-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C64H81N11O4.C36H43N7O4.C36H42N6O4.C28H41N5O.C23H29N3O2.C13H16N4O3.C2HF3O2.CHF3.CH2O2.CH4.3ClH/c1-68(2)51-26-22-46-36-47-23-27-52(69(3)4)40-57(47)74(56(46)39-51)32-18-11-14-20-55(76)34-45-35-60(72(9)43-45)64(79)67-50-38-61(73(10)44-50)63(78)66-31-17-13-16-30-65-62(77)21-15-12-19-33-75-58-41-53(70(5)6)28-24-48(58)37-49-25-29-54(71(7)8)42-59(49)75;1-39(2)28-14-12-24-17-25-13-15-29(40(3)4)21-31(25)43(30(24)20-28)16-10-8-9-11-34(44)37-26-18-32(41(5)22-26)35(45)38-27-19-33(36(46)47-7)42(6)23-27;1-38(2)28-13-11-25-18-26-12-14-29(39(3)4)21-32(26)42(31(25)20-28)15-9-7-8-10-30(43)16-24-17-33(40(5)22-24)35(44)37-27-19-34(36(45)46)41(6)23-27;1-31(2)24-14-12-22-19-23-13-15-25(32(3)4)21-27(23)33(26(22)20-24)18-10-5-7-11-28(34)30-17-9-6-8-16-29;1-24(2)19-11-9-17-14-18-10-12-20(25(3)4)16-22(18)26(21(17)15-19)13-7-5-6-8-23(27)28;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;3-2(4,5)1(6)7;2-1(3)4;2-1-3;;;;/h22-29,35-44H,11-21,30-34H2,1-10H3,(H-2,65,66,67,77,78,79);12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);11-14,17-23H,7-10,15-16H2,1-6H3,(H-,37,44,45,46);12-15,19-21H,5-11,16-18,29H2,1-4H3;9-12,14-16H,5-8,13H2,1-4H3;4-7H,14H2,1-3H3,(H,15,18);(H,6,7);1H;1H,(H,2,3);1H4;3*1H/p+2
InChIKeyOGOVYURSXWCHFE-UHFFFAOYSA-P
XLogP19.49
TPSA629.66 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds76
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003805.95
LogP ≤ 519.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate with MolForge

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Related Compounds

1-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;2-(dimethylamino)ethyl 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
CID 157067872
2-chloro-N-ethyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethanamine;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylic acid;5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)indole-2-carboxamide;ethyl 5-[4-(ethylamino)-1,6-naphthyridin-2-yl]-1-methylindole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;1-methylpiperidin-4-amine
CID 158466774
ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine
CID 158676673
10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;10-[3-[5-[3,6-bis(methylaminomethyl)acridin-10-ium-10-yl]pentylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methane;methyl 4-[[4-amino-5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-methylhexanoyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
CID 158885809
1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
CID 159135616
N-[2-(dimethylamino)ethyl]-1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;N',N'-dimethylethane-1,2-diamine;ethyl 1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
CID 160119662
10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
CID 160170133
2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;methyl 2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;dihydrochloride
CID 160334631
ethyl 1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine;1-methyl-5-[4-(4-piperidin-1-ylbutan-2-ylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
CID 160657966
ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methylpiperidin-4-amine;N-methyl-3-piperidin-1-ylpropan-1-amine
CID 160661612
CID 160708409
CID 160708409
10-[3-(2-aminoethylamino)propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;4-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]butanoic acid;10-[3-[2-[3-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]propylamino]ethylamino]propyl]-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;10-(3-iodopropyl)-3-N,3-N,6-N,6-N-tetramethylacridin-10-ium-3,6-diamine;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;dichloride;diiodide
CID 161465757

Frequently Asked Questions

What is the IUPAC name of 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate?
The IUPAC name of 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate (CID 158503665) is 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate.
What is the SMILES notation for 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate?
The canonical SMILES for 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate is C.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)Cc3cc(C(=O)Nc4cc(C(=O)NCCCCCNC(=O)CCCCC[n+]5c6cc(N(C)C)ccc6cc6ccc(N(C)C)cc65)n(C)c4)n(C)c3)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)Cc3cc(C(=O)Nc4cc(C(=O)O)n(C)c4)n(C)c3)c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)NCCCCC[NH3+])c2c1.CN(C)c1ccc2cc3ccc(N(C)C)cc3[n+](CCCCCC(=O)O)c2c1.COC(=O)c1cc(NC(=O)c2cc(N)cn2C)cn1C.COC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCCC[n+]3c4cc(N(C)C)ccc4cc4ccc(N(C)C)cc43)cn2C)cn1C.FC(F)F.O=C([O-])C(F)(F)F.O=C[O-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate?
The InChIKey is OGOVYURSXWCHFE-UHFFFAOYSA-P. The full InChI is InChI=1S/C64H81N11O4.C36H43N7O4.C36H42N6O4.C28H41N5O.C23H29N3O2.C13H16N4O3.C2HF3O2.CHF3.CH2O2.CH4.3ClH/c1-68(2)51-26-22-46-36-47-23-27-52(69(3)4)40-57(47)74(56(46)39-51)32-18-11-14-20-55(76)34-45-35-60(72(9)43-45)64(79)67-50-38-61(73(10)44-50)63(78)66-31-17-13-16-30-65-62(77)21-15-12-19-33-75-58-41-53(70(5)6)28-24-48(58)37-49-25-29-54(71(7)8)42-59(49)75;1-39(2)28-14-12-24-17-25-13-15-29(40(3)4)21-31(25)43(30(24)20-28)16-10-8-9-11-34(44)37-26-18-32(41(5)22-26)35(45)38-27-19-33(36(46)47-7)42(6)23-27;1-38(2)28-13-11-25-18-26-12-14-29(39(3)4)21-32(26)42(31(25)20-28)15-9-7-8-10-30(43)16-24-17-33(40(5)22-24)35(44)37-27-19-34(36(45)46)41(6)23-27;1-31(2)24-14-12-22-19-23-13-15-25(32(3)4)21-27(23)33(26(22)20-24)18-10-5-7-11-28(34)30-17-9-6-8-16-29;1-24(2)19-11-9-17-14-18-10-12-20(25(3)4)16-22(18)26(21(17)15-19)13-7-5-6-8-23(27)28;1-16-6-8(14)4-10(16)12(18)15-9-5-11(13(19)20-3)17(2)7-9;3-2(4,5)1(6)7;2-1(3)4;2-1-3;;;;/h22-29,35-44H,11-21,30-34H2,1-10H3,(H-2,65,66,67,77,78,79);12-15,17-23H,8-11,16H2,1-7H3,(H-,37,38,44,45);11-14,17-23H,7-10,15-16H2,1-6H3,(H-,37,44,45,46);12-15,19-21H,5-11,16-18,29H2,1-4H3;9-12,14-16H,5-8,13H2,1-4H3;4-7H,14H2,1-3H3,(H,15,18);(H,6,7);1H;1H,(H,2,3);1H4;3*1H/p+2.
What are the key properties of 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate?
6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate has a molecular weight of 3805.95 g/mol, XLogP of 19.49, 76 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoic acid;5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylazanium;N-[5-[5-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]pentylcarbamoyl]-1-methylpyrrol-3-yl]-4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carboxamide;4-[[4-[7-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]-2-oxoheptyl]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid;fluoroform;methane;methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carboxylate;methyl 4-[[4-[6-[3,6-bis(dimethylamino)acridin-10-ium-10-yl]hexanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate;2,2,2-trifluoroacetate;trichloride;formate is sourced from PubChem (CID 158503665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).