lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride

C248H316ClLiN32O22S — CID 158061298

IUPAClithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride
SMILESCC.CC.CC(C)(C)OC(=O)N1CCN(CCc2ccc3ncccc3c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CN.COC(=O)Cc1ccc2ncccc2c1.COC=O.CS(=O)(=O)OCCc1ccc2ncccc2c1.Cc1[nH]c2ccc(Cc3ccccc3)cc2c1C.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6ncccc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3cccc(C(=O)N4CCN(CCc5ccc6ncccc6c5)CC4)c3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccccc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccccc3)cc12.Cl.O.O=C(O)Cc1ccc2ncccc2c1.O=C=O.O=C=O.OCCc1ccc2ncccc2c1.[Li+].[OH-].c1cnc2ccc(CCN3CCNCC3)cc2c1
InChIInChI=1S/2C41H50N6O.2C25H33N3.C20H27N3O2.C17H17N.C15H19N3.C12H13NO3S.C12H11NO2.C11H9NO2.C11H11NO.C9H18N2O2.C2H4O2.2C2H6.CH5N.2CO2.ClH.Li.2H2O/c1-31-32(2)47(17-6-16-44-21-19-43(3)20-22-44)40-13-11-35(30-38(31)40)27-34-7-4-8-37(29-34)41(48)46-25-23-45(24-26-46)18-14-33-10-12-39-36(28-33)9-5-15-42-39;1-31-32(2)47(18-5-17-44-22-20-43(3)21-23-44)40-14-10-35(30-38(31)40)28-33-7-11-36(12-8-33)41(48)46-26-24-45(25-27-46)19-15-34-9-13-39-37(29-34)6-4-16-42-39;2*1-20-21(2)28(13-7-12-27-16-14-26(3)15-17-27)25-11-10-23(19-24(20)25)18-22-8-5-4-6-9-22;1-20(2,3)25-19(24)23-13-11-22(12-14-23)10-8-16-6-7-18-17(15-16)5-4-9-21-18;1-12-13(2)18-17-9-8-15(11-16(12)17)10-14-6-4-3-5-7-14;1-2-14-12-13(3-4-15(14)17-6-1)5-9-18-10-7-16-8-11-18;1-17(14,15)16-8-6-10-4-5-12-11(9-10)3-2-7-13-12;1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;13-7-5-9-3-4-11-10(8-9)2-1-6-12-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-2-3;3*1-2;2*2-1-3;;;;/h4-5,7-13,15,28-30H,6,14,16-27H2,1-3H3;4,6-14,16,29-30H,5,15,17-28H2,1-3H3;2*4-6,8-11,19H,7,12-18H2,1-3H3;4-7,9,15H,8,10-14H2,1-3H3;3-9,11,18H,10H2,1-2H3;1-4,6,12,16H,5,7-11H2;2-5,7,9H,6,8H2,1H3;2-7H,8H2,1H3;1-6H,7H2,(H,13,14);1-4,6,8,13H,5,7H2;10H,4-7H2,1-3H3;2H,1H3;2*1-2H3;2H2,1H3;;;1H;;2*1H2/q;;;;;;;;;;;;;;;;;;;+1;;/p-1
InChIKeyHHEVEOMMDQZPAH-UHFFFAOYSA-M
MW4171.92 g/mol
LogP35.27
Rot. Bonds51

About lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride

lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride (PubChem CID 158061298) has the molecular formula C248H316ClLiN32O22S and a molecular weight of 4171.92 g/mol. Its IUPAC name is lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride.

Molecular Properties

Compound Namelithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride
PubChem CID158061298
Molecular FormulaC248H316ClLiN32O22S
Molecular Weight4171.92 g/mol
Exact Mass4168.42
IUPAC Namelithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride
SMILESCC.CC.CC(C)(C)OC(=O)N1CCN(CCc2ccc3ncccc3c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CN.COC(=O)Cc1ccc2ncccc2c1.COC=O.CS(=O)(=O)OCCc1ccc2ncccc2c1.Cc1[nH]c2ccc(Cc3ccccc3)cc2c1C.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6ncccc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3cccc(C(=O)N4CCN(CCc5ccc6ncccc6c5)CC4)c3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccccc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccccc3)cc12.Cl.O.O=C(O)Cc1ccc2ncccc2c1.O=C=O.O=C=O.OCCc1ccc2ncccc2c1.[Li+].[OH-].c1cnc2ccc(CCN3CCNCC3)cc2c1
InChIInChI=1S/2C41H50N6O.2C25H33N3.C20H27N3O2.C17H17N.C15H19N3.C12H13NO3S.C12H11NO2.C11H9NO2.C11H11NO.C9H18N2O2.C2H4O2.2C2H6.CH5N.2CO2.ClH.Li.2H2O/c1-31-32(2)47(17-6-16-44-21-19-43(3)20-22-44)40-13-11-35(30-38(31)40)27-34-7-4-8-37(29-34)41(48)46-25-23-45(24-26-46)18-14-33-10-12-39-36(28-33)9-5-15-42-39;1-31-32(2)47(18-5-17-44-22-20-43(3)21-23-44)40-14-10-35(30-38(31)40)28-33-7-11-36(12-8-33)41(48)46-26-24-45(25-27-46)19-15-34-9-13-39-37(29-34)6-4-16-42-39;2*1-20-21(2)28(13-7-12-27-16-14-26(3)15-17-27)25-11-10-23(19-24(20)25)18-22-8-5-4-6-9-22;1-20(2,3)25-19(24)23-13-11-22(12-14-23)10-8-16-6-7-18-17(15-16)5-4-9-21-18;1-12-13(2)18-17-9-8-15(11-16(12)17)10-14-6-4-3-5-7-14;1-2-14-12-13(3-4-15(14)17-6-1)5-9-18-10-7-16-8-11-18;1-17(14,15)16-8-6-10-4-5-12-11(9-10)3-2-7-13-12;1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;13-7-5-9-3-4-11-10(8-9)2-1-6-12-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-2-3;3*1-2;2*2-1-3;;;;/h4-5,7-13,15,28-30H,6,14,16-27H2,1-3H3;4,6-14,16,29-30H,5,15,17-28H2,1-3H3;2*4-6,8-11,19H,7,12-18H2,1-3H3;4-7,9,15H,8,10-14H2,1-3H3;3-9,11,18H,10H2,1-2H3;1-4,6,12,16H,5,7-11H2;2-5,7,9H,6,8H2,1H3;2-7H,8H2,1H3;1-6H,7H2,(H,13,14);1-4,6,8,13H,5,7H2;10H,4-7H2,1-3H3;2H,1H3;2*1-2H3;2H2,1H3;;;1H;;2*1H2/q;;;;;;;;;;;;;;;;;;;+1;;/p-1
InChIKeyHHEVEOMMDQZPAH-UHFFFAOYSA-M
XLogP35.27
TPSA610.57 Ų
H-Bond Donors6
H-Bond Acceptors47
Rotatable Bonds51
Heavy Atoms305
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004171.92
LogP ≤ 535.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1047

Analyze lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

6-tert-butyl-N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]pyridine-3-carboxamide;ethyl 2-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-2-methylpropanoate;1-[4-[2-[1-ethyl-2-[3-(4-methylanilino)prop-1-ynyl]indol-5-yl]ethyl]piperidin-1-yl]ethanone;3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]-N-methylprop-2-ynamide;3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]-N-phenylprop-2-ynamide;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-ethynylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine
CID 157888706
ethyl 2-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-2-methylpropanoate;3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]-N-methylprop-2-ynamide;3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]-N-phenylprop-2-ynamide;3-[4-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynylamino]phenyl]-3-methylbutan-2-one;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-ethynylaniline;N-[3-[1-ethyl-5-[2-(1-methylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(1-methylsulfonylpiperidin-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-4-methylaniline;N-[3-[1-ethyl-5-[2-(oxan-4-yl)ethyl]indol-2-yl]prop-2-ynyl]-6-(2-methylbut-3-yn-2-yl)pyridin-3-amine
CID 158894267
3-(12,14-dioxo-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.019,24]tetracosa-1(16),2(10),4(9),5,7,11(15),19,21,23-nonaen-7-yl)propanoic acid;N-[3-(12,14-dioxo-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.019,24]tetracosa-1(16),2(10),4,6,8,11(15),19,21,23-nonaen-3-yl)propyl]-1-methylsulfonylpyrrolidine-2-carboxamide;3-(pyridin-2-ylmethyl)-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.019,24]tetracosa-1,4,6,8,10,15,19,21,23-nonaen-12-one;3-(pyridin-2-ylmethyl)-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.019,24]tetracosa-1(16),2(10),4,6,8,11(15),19,21,23-nonaen-14-one
CID 160926001
4-[(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carbonylamino)methyl]benzoic acid;1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxylic acid;O-benzylhydroxylamine;ethyl 2-(4-aminophenyl)acetate;ethyl 4-[(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carbonylamino)methyl]benzoate;N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxamide;methanol;N-[[4-(phenylmethoxycarbamoyl)phenyl]methyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene-3-carboxamide
CID 161286844

Frequently Asked Questions

What is the IUPAC name of lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride?
The IUPAC name of lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride (CID 158061298) is lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride.
What is the SMILES notation for lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride?
The canonical SMILES for lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride is CC.CC.CC(C)(C)OC(=O)N1CCN(CCc2ccc3ncccc3c2)CC1.CC(C)(C)OC(=O)N1CCNCC1.CN.COC(=O)Cc1ccc2ncccc2c1.COC=O.CS(=O)(=O)OCCc1ccc2ncccc2c1.Cc1[nH]c2ccc(Cc3ccccc3)cc2c1C.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccc(C(=O)N4CCN(CCc5ccc6ncccc6c5)CC4)cc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3cccc(C(=O)N4CCN(CCc5ccc6ncccc6c5)CC4)c3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccccc3)cc12.Cc1c(C)n(CCCN2CCN(C)CC2)c2ccc(Cc3ccccc3)cc12.Cl.O.O=C(O)Cc1ccc2ncccc2c1.O=C=O.O=C=O.OCCc1ccc2ncccc2c1.[Li+].[OH-].c1cnc2ccc(CCN3CCNCC3)cc2c1.
What is the InChIKey of lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride?
The InChIKey is HHEVEOMMDQZPAH-UHFFFAOYSA-M. The full InChI is InChI=1S/2C41H50N6O.2C25H33N3.C20H27N3O2.C17H17N.C15H19N3.C12H13NO3S.C12H11NO2.C11H9NO2.C11H11NO.C9H18N2O2.C2H4O2.2C2H6.CH5N.2CO2.ClH.Li.2H2O/c1-31-32(2)47(17-6-16-44-21-19-43(3)20-22-44)40-13-11-35(30-38(31)40)27-34-7-4-8-37(29-34)41(48)46-25-23-45(24-26-46)18-14-33-10-12-39-36(28-33)9-5-15-42-39;1-31-32(2)47(18-5-17-44-22-20-43(3)21-23-44)40-14-10-35(30-38(31)40)28-33-7-11-36(12-8-33)41(48)46-26-24-45(25-27-46)19-15-34-9-13-39-37(29-34)6-4-16-42-39;2*1-20-21(2)28(13-7-12-27-16-14-26(3)15-17-27)25-11-10-23(19-24(20)25)18-22-8-5-4-6-9-22;1-20(2,3)25-19(24)23-13-11-22(12-14-23)10-8-16-6-7-18-17(15-16)5-4-9-21-18;1-12-13(2)18-17-9-8-15(11-16(12)17)10-14-6-4-3-5-7-14;1-2-14-12-13(3-4-15(14)17-6-1)5-9-18-10-7-16-8-11-18;1-17(14,15)16-8-6-10-4-5-12-11(9-10)3-2-7-13-12;1-15-12(14)8-9-4-5-11-10(7-9)3-2-6-13-11;13-11(14)7-8-3-4-10-9(6-8)2-1-5-12-10;13-7-5-9-3-4-11-10(8-9)2-1-6-12-11;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-4-2-3;3*1-2;2*2-1-3;;;;/h4-5,7-13,15,28-30H,6,14,16-27H2,1-3H3;4,6-14,16,29-30H,5,15,17-28H2,1-3H3;2*4-6,8-11,19H,7,12-18H2,1-3H3;4-7,9,15H,8,10-14H2,1-3H3;3-9,11,18H,10H2,1-2H3;1-4,6,12,16H,5,7-11H2;2-5,7,9H,6,8H2,1H3;2-7H,8H2,1H3;1-6H,7H2,(H,13,14);1-4,6,8,13H,5,7H2;10H,4-7H2,1-3H3;2H,1H3;2*1-2H3;2H2,1H3;;;1H;;2*1H2/q;;;;;;;;;;;;;;;;;;;+1;;/p-1.
What are the key properties of lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride?
lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride has a molecular weight of 4171.92 g/mol, XLogP of 35.27, 51 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-benzyl-2,3-dimethyl-1H-indole;bis(5-benzyl-2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indole);tert-butyl piperazine-1-carboxylate;tert-butyl 4-(2-quinolin-6-ylethyl)piperazine-1-carboxylate;bis(carbon dioxide);[3-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;[4-[[2,3-dimethyl-1-[3-(4-methylpiperazin-1-yl)propyl]indol-5-yl]methyl]phenyl]-[4-(2-quinolin-6-ylethyl)piperazin-1-yl]methanone;ethane;methanamine;methyl formate;methyl 2-quinolin-6-ylacetate;6-(2-piperazin-1-ylethyl)quinoline;2-quinolin-6-ylacetic acid;2-quinolin-6-ylethanol;2-quinolin-6-ylethyl methanesulfonate;hydroxide;hydrate;hydrochloride is sourced from PubChem (CID 158061298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).