1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline

C190H201N33O2+8 — CID 172923153

IUPAC1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
SMILESCN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1)CCCN3CCC2.CN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1O)CCCN3CCC2.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(N2CCCC2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(NCc2ccccc2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(Nc2ccc(N)cc2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(Nc2ccccc2)cc1.CN1CCCc2cc(N(C)/N=C/c3ccc4ccccc4[n+]3C)ccc21.COc1ccc(Nc2ccc(N(C)/N=C/c3ccc4ccccc4[n+]3C)cc2)cc1
InChIInChI=1S/C25H25N4O.C25H25N4.C24H23N5.C24H26N4O.C24H27N4.C24H23N4.2C22H25N4/c1-28-23(13-8-19-6-4-5-7-25(19)28)18-26-29(2)22-14-9-20(10-15-22)27-21-11-16-24(30-3)17-12-21;1-28-24(15-12-21-10-6-7-11-25(21)28)19-27-29(2)23-16-13-22(14-17-23)26-18-20-8-4-3-5-9-20;1-28-23(14-7-18-5-3-4-6-24(18)28)17-26-29(2)22-15-12-21(13-16-22)27-20-10-8-19(25)9-11-20;1-26-19(12-11-17-7-3-4-10-21(17)26)16-25-27(2)22-15-18-8-5-13-28-14-6-9-20(23(18)28)24(22)29;1-26-21(12-11-18-7-3-4-10-23(18)26)17-25-27(2)22-15-19-8-5-13-28-14-6-9-20(16-22)24(19)28;1-27-23(15-12-19-8-6-7-11-24(19)27)18-25-28(2)22-16-13-21(14-17-22)26-20-9-4-3-5-10-20;1-24-14-6-8-18-15-19(12-13-21(18)24)26(3)23-16-20-11-10-17-7-4-5-9-22(17)25(20)2;1-24-21(10-9-18-7-3-4-8-22(18)24)17-23-25(2)19-11-13-20(14-12-19)26-15-5-6-16-26/h4-18,27H,1-3H3;3-17,19,26H,18H2,1-2H3;3-17,25-26H,1-2H3;3-4,7,10-12,15-16H,5-6,8-9,13-14H2,1-2H3;3-4,7,10-12,15-17H,5-6,8-9,13-14H2,1-2H3;3-18,26H,1-2H3;4-5,7,9-13,15-16H,6,8,14H2,1-3H3;3-4,7-14,17H,5-6,15-16H2,1-2H3/q2*+1;;;4*+1/p+2
InChIKeyVQXRMELTZYMQGY-UHFFFAOYSA-P
MW2978.93 g/mol
LogP33.60
Rot. Bonds35

About 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline

1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline (PubChem CID 172923153) has the molecular formula C190H201N33O2+8 and a molecular weight of 2978.93 g/mol. Its IUPAC name is 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
PubChem CID172923153
Molecular FormulaC190H201N33O2+8
Molecular Weight2978.93 g/mol
Exact Mass2976.66
IUPAC Name1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
SMILESCN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1)CCCN3CCC2.CN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1O)CCCN3CCC2.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(N2CCCC2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(NCc2ccccc2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(Nc2ccc(N)cc2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(Nc2ccccc2)cc1.CN1CCCc2cc(N(C)/N=C/c3ccc4ccccc4[n+]3C)ccc21.COc1ccc(Nc2ccc(N(C)/N=C/c3ccc4ccccc4[n+]3C)cc2)cc1
InChIInChI=1S/C25H25N4O.C25H25N4.C24H23N5.C24H26N4O.C24H27N4.C24H23N4.2C22H25N4/c1-28-23(13-8-19-6-4-5-7-25(19)28)18-26-29(2)22-14-9-20(10-15-22)27-21-11-16-24(30-3)17-12-21;1-28-24(15-12-21-10-6-7-11-25(21)28)19-27-29(2)23-16-13-22(14-17-23)26-18-20-8-4-3-5-9-20;1-28-23(14-7-18-5-3-4-6-24(18)28)17-26-29(2)22-15-12-21(13-16-22)27-20-10-8-19(25)9-11-20;1-26-19(12-11-17-7-3-4-10-21(17)26)16-25-27(2)22-15-18-8-5-13-28-14-6-9-20(23(18)28)24(22)29;1-26-21(12-11-18-7-3-4-10-23(18)26)17-25-27(2)22-15-19-8-5-13-28-14-6-9-20(16-22)24(19)28;1-27-23(15-12-19-8-6-7-11-24(19)27)18-25-28(2)22-16-13-21(14-17-22)26-20-9-4-3-5-10-20;1-24-14-6-8-18-15-19(12-13-21(18)24)26(3)23-16-20-11-10-17-7-4-5-9-22(17)25(20)2;1-24-21(10-9-18-7-3-4-8-22(18)24)17-23-25(2)19-11-13-20(14-12-19)26-15-5-6-16-26/h4-18,27H,1-3H3;3-17,19,26H,18H2,1-2H3;3-17,25-26H,1-2H3;3-4,7,10-12,15-16H,5-6,8-9,13-14H2,1-2H3;3-4,7,10-12,15-17H,5-6,8-9,13-14H2,1-2H3;3-18,26H,1-2H3;4-5,7,9-13,15-16H,6,8,14H2,1-3H3;3-4,7-14,17H,5-6,15-16H2,1-2H3/q2*+1;;;4*+1/p+2
InChIKeyVQXRMELTZYMQGY-UHFFFAOYSA-P
XLogP33.60
TPSA272.40 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002978.93
LogP ≤ 533.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

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': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline with MolForge

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Launch Full Analysis

Related Compounds

1-N-[4-(diethylamino)phenyl]-4-N-methyl-4-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-3,4-dihydro-2H-quinolin-6-amine;6-methoxy-N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-7-amine;1-methyl-6-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-3,4-dihydro-2H-quinolin-7-ol;7-[methyl-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;N-methyl-N-[(E)-1-(1-methylquinolin-1-ium-2-yl)ethylideneamino]-4-pyrrolidin-1-ylnaphthalen-1-amine
CID 172986088
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
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
3-methoxy-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62096662
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82538771
4-[(4-piperidin-1-ylanilino)methyl]aniline
CID 83949136
N-(3-methoxyphenyl)-1-methyl-3,4-dihydro-2H-quinolin-6-amine
CID 82537025
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
N-methyl-N-[(1-methylquinolin-1-ium-4-yl)methylideneamino]-4-pyrrolidin-1-ylaniline
CID 76699816
1-methyl-N-naphthalen-2-yl-2,3-dihydroindol-5-amine
CID 82536270
methyl 2-[methyl-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)hydrazinylidene]-2-(1-methylpyridin-1-ium-2-yl)acetate
CID 76699729

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
The IUPAC name of 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline (CID 172923153) is 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline is CN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1)CCCN3CCC2.CN(/N=C/c1ccc2ccccc2[n+]1C)c1cc2c3c(c1O)CCCN3CCC2.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(N2CCCC2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(NCc2ccccc2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(Nc2ccc(N)cc2)cc1.CN(/N=C/c1ccc2ccccc2[n+]1C)c1ccc(Nc2ccccc2)cc1.CN1CCCc2cc(N(C)/N=C/c3ccc4ccccc4[n+]3C)ccc21.COc1ccc(Nc2ccc(N(C)/N=C/c3ccc4ccccc4[n+]3C)cc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
The InChIKey is VQXRMELTZYMQGY-UHFFFAOYSA-P. The full InChI is InChI=1S/C25H25N4O.C25H25N4.C24H23N5.C24H26N4O.C24H27N4.C24H23N4.2C22H25N4/c1-28-23(13-8-19-6-4-5-7-25(19)28)18-26-29(2)22-14-9-20(10-15-22)27-21-11-16-24(30-3)17-12-21;1-28-24(15-12-21-10-6-7-11-25(21)28)19-27-29(2)23-16-13-22(14-17-23)26-18-20-8-4-3-5-9-20;1-28-23(14-7-18-5-3-4-6-24(18)28)17-26-29(2)22-15-12-21(13-16-22)27-20-10-8-19(25)9-11-20;1-26-19(12-11-17-7-3-4-10-21(17)26)16-25-27(2)22-15-18-8-5-13-28-14-6-9-20(23(18)28)24(22)29;1-26-21(12-11-18-7-3-4-10-23(18)26)17-25-27(2)22-15-19-8-5-13-28-14-6-9-20(16-22)24(19)28;1-27-23(15-12-19-8-6-7-11-24(19)27)18-25-28(2)22-16-13-21(14-17-22)26-20-9-4-3-5-10-20;1-24-14-6-8-18-15-19(12-13-21(18)24)26(3)23-16-20-11-10-17-7-4-5-9-22(17)25(20)2;1-24-21(10-9-18-7-3-4-8-22(18)24)17-23-25(2)19-11-13-20(14-12-19)26-15-5-6-16-26/h4-18,27H,1-3H3;3-17,19,26H,18H2,1-2H3;3-17,25-26H,1-2H3;3-4,7,10-12,15-16H,5-6,8-9,13-14H2,1-2H3;3-4,7,10-12,15-17H,5-6,8-9,13-14H2,1-2H3;3-18,26H,1-2H3;4-5,7,9-13,15-16H,6,8,14H2,1-3H3;3-4,7-14,17H,5-6,15-16H2,1-2H3/q2*+1;;;4*+1/p+2.
What are the key properties of 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline?
1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline has a molecular weight of 2978.93 g/mol, XLogP of 33.60, 35 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;N,1-dimethyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-3,4-dihydro-2H-quinolin-6-amine;1-N-(4-methoxyphenyl)-4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]benzene-1,4-diamine;7-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol;4-N-[4-[methyl-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]amino]phenyl]benzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-amine;4-N-methyl-4-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-1-N-phenylbenzene-1,4-diamine;N-methyl-N-[(E)-(1-methylquinolin-1-ium-2-yl)methylideneamino]-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 172923153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).