methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate

C152H185N30O16+7 — CID 172971793

IUPACmethyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate
SMILESCCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C(=O)OC)c3cccc[n+]3C)cc2)cc1.COC(=O)/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1cc2c3c(c1)CCCN3CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc(N2CCCC2)cc1)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc(Nc2ccc(N)cc2)cc1)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C
InChIInChI=1S/C26H32N5O2.C22H23N5O2.C22H26N4O3.C22H27N4O2.C20H24N4O3.2C20H25N4O2/c1-6-31(7-2)23-17-13-21(14-18-23)27-20-11-15-22(16-12-20)30(4)28-25(26(32)33-5)24-10-8-9-19-29(24)3;1-26-15-5-4-6-20(26)21(22(28)29-3)25-27(2)19-13-11-18(12-14-19)24-17-9-7-16(23)8-10-17;1-24-11-5-4-10-17(24)19(22(28)29-3)23-25(2)18-14-15-8-6-12-26-13-7-9-16(20(15)26)21(18)27;1-24-11-5-4-10-19(24)20(22(27)28-3)23-25(2)18-14-16-8-6-12-26-13-7-9-17(15-18)21(16)26;1-22-10-6-5-9-15(22)19(20(26)27-4)21-24(3)17-12-14-8-7-11-23(2)16(14)13-18(17)25;1-22-13-7-8-15-14-16(10-11-17(15)22)24(3)21-19(20(25)26-4)18-9-5-6-12-23(18)2;1-22-13-5-4-8-18(22)19(20(25)26-3)21-23(2)16-9-11-17(12-10-16)24-14-6-7-15-24/h8-19,27H,6-7H2,1-5H3;4-15,23,25H,1-3H3;4-5,10-11,14H,6-9,12-13H2,1-3H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3;5-6,9-10,12-13H,7-8,11H2,1-4H3;5-6,9-12,14H,7-8,13H2,1-4H3;4-5,8-13H,6-7,14-15H2,1-3H3/q+1;;;+1;;2*+1/p+3
InChIKeyKGLXPKHLELCFSH-UHFFFAOYSA-Q
MW2688.35 g/mol
LogP16.76
Rot. Bonds36

About methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate

methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate (PubChem CID 172971793) has the molecular formula C152H185N30O16+7 and a molecular weight of 2688.35 g/mol. Its IUPAC name is methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate
PubChem CID172971793
Molecular FormulaC152H185N30O16+7
Molecular Weight2688.35 g/mol
Exact Mass2686.45
IUPAC Namemethyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate
SMILESCCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C(=O)OC)c3cccc[n+]3C)cc2)cc1.COC(=O)/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1cc2c3c(c1)CCCN3CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc(N2CCCC2)cc1)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc(Nc2ccc(N)cc2)cc1)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C
InChIInChI=1S/C26H32N5O2.C22H23N5O2.C22H26N4O3.C22H27N4O2.C20H24N4O3.2C20H25N4O2/c1-6-31(7-2)23-17-13-21(14-18-23)27-20-11-15-22(16-12-20)30(4)28-25(26(32)33-5)24-10-8-9-19-29(24)3;1-26-15-5-4-6-20(26)21(22(28)29-3)25-27(2)19-13-11-18(12-14-19)24-17-9-7-16(23)8-10-17;1-24-11-5-4-10-17(24)19(22(28)29-3)23-25(2)18-14-15-8-6-12-26-13-7-9-16(20(15)26)21(18)27;1-24-11-5-4-10-19(24)20(22(27)28-3)23-25(2)18-14-16-8-6-12-26-13-7-9-17(15-18)21(16)26;1-22-10-6-5-9-15(22)19(20(26)27-4)21-24(3)17-12-14-8-7-11-23(2)16(14)13-18(17)25;1-22-13-7-8-15-14-16(10-11-17(15)22)24(3)21-19(20(25)26-4)18-9-5-6-12-23(18)2;1-22-13-5-4-8-18(22)19(20(25)26-3)21-23(2)16-9-11-17(12-10-16)24-14-6-7-15-24/h8-19,27H,6-7H2,1-5H3;4-15,23,25H,1-3H3;4-5,10-11,14H,6-9,12-13H2,1-3H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3;5-6,9-10,12-13H,7-8,11H2,1-4H3;5-6,9-12,14H,7-8,13H2,1-4H3;4-5,8-13H,6-7,14-15H2,1-3H3/q+1;;;+1;;2*+1/p+3
InChIKeyKGLXPKHLELCFSH-UHFFFAOYSA-Q
XLogP16.76
TPSA430.44 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds36
Heavy Atoms198
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002688.35
LogP ≤ 516.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate (CID 172971793) is methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate is CCN(CC)c1ccc(Nc2ccc(N(C)/N=C(\C(=O)OC)c3cccc[n+]3C)cc2)cc1.COC(=O)/C(=N\N(C)c1cc2c(cc1O)N(C)CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1cc2c3c(c1)CCCN3CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1cc2c3c(c1O)CCCN3CCC2)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc(N2CCCC2)cc1)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc(Nc2ccc(N)cc2)cc1)c1cccc[n+]1C.COC(=O)/C(=N\N(C)c1ccc2c(c1)CCCN2C)c1cccc[n+]1C.
What is the InChIKey of methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate?
The InChIKey is KGLXPKHLELCFSH-UHFFFAOYSA-Q. The full InChI is InChI=1S/C26H32N5O2.C22H23N5O2.C22H26N4O3.C22H27N4O2.C20H24N4O3.2C20H25N4O2/c1-6-31(7-2)23-17-13-21(14-18-23)27-20-11-15-22(16-12-20)30(4)28-25(26(32)33-5)24-10-8-9-19-29(24)3;1-26-15-5-4-6-20(26)21(22(28)29-3)25-27(2)19-13-11-18(12-14-19)24-17-9-7-16(23)8-10-17;1-24-11-5-4-10-17(24)19(22(28)29-3)23-25(2)18-14-15-8-6-12-26-13-7-9-16(20(15)26)21(18)27;1-24-11-5-4-10-19(24)20(22(27)28-3)23-25(2)18-14-16-8-6-12-26-13-7-9-17(15-18)21(16)26;1-22-10-6-5-9-15(22)19(20(26)27-4)21-24(3)17-12-14-8-7-11-23(2)16(14)13-18(17)25;1-22-13-7-8-15-14-16(10-11-17(15)22)24(3)21-19(20(25)26-4)18-9-5-6-12-23(18)2;1-22-13-5-4-8-18(22)19(20(25)26-3)21-23(2)16-9-11-17(12-10-16)24-14-6-7-15-24/h8-19,27H,6-7H2,1-5H3;4-15,23,25H,1-3H3;4-5,10-11,14H,6-9,12-13H2,1-3H3;4-5,10-11,14-15H,6-9,12-13H2,1-3H3;5-6,9-10,12-13H,7-8,11H2,1-4H3;5-6,9-12,14H,7-8,13H2,1-4H3;4-5,8-13H,6-7,14-15H2,1-3H3/q+1;;;+1;;2*+1/p+3.
What are the key properties of methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate?
methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate has a molecular weight of 2688.35 g/mol, XLogP of 16.76, 36 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[[4-(4-aminoanilino)phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl(methyl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[[4-[4-(diethylamino)anilino]phenyl]-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(6-hydroxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[(7-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-6-yl)-methylhydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate;methyl (2Z)-2-(1-methylpyridin-1-ium-2-yl)-2-[methyl-(4-pyrrolidin-1-ylphenyl)hydrazinylidene]acetate is sourced from PubChem (CID 172971793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).