4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride

C104H132Cl3N21O3+6 — CID 157408593

About 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride (PubChem CID 157408593) has the molecular formula C104H132Cl3N21O3+6 and a molecular weight of 1830.70 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride.

Molecular Properties

• Compound Name: 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride
• PubChem CID: 157408593
• Molecular Formula: C104H132Cl3N21O3+6
• Molecular Weight: 1830.70 g/mol
• Exact Mass: 1827.99
• IUPAC Name: 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride
• SMILES: C.C.C.C.C.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.COc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C.[Cl-]
• InChI: InChI=1S/C15H13ClN4O.C15H18N3O.C14H15ClN3.C14H16N3.2C14H14N2.C12H15N4O.6CH4.ClH/c1-19-9-10-3-8-13(21)14(15(10)20(19)2)18-17-12-6-4-11(16)5-7-12;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;1-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12;1-15-8-9-16(2)12(15)14-13-10-4-6-11(17-3)7-5-10;;;;;;;/h3-9H,1-2H3;4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;6*1H4;1H/q;3*+1;;;+1;;;;;;;/p+2/b18-17+
• InChIKey: DDCJNVFTKXXLAJ-BEHSCFRISA-P
• XLogP: 18.00
• TPSA: 223.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1830.70
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride?

The IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride (CID 157408593) is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride.

What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride?

The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride is C.C.C.C.C.C.CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.COc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C.[Cl-].

What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride?

The InChIKey is DDCJNVFTKXXLAJ-BEHSCFRISA-P. The full InChI is InChI=1S/C15H13ClN4O.C15H18N3O.C14H15ClN3.C14H16N3.2C14H14N2.C12H15N4O.6CH4.ClH/c1-19-9-10-3-8-13(21)14(15(10)20(19)2)18-17-12-6-4-11(16)5-7-12;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;1-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12;1-15-8-9-16(2)12(15)14-13-10-4-6-11(17-3)7-5-10;;;;;;;/h3-9H,1-2H3;4-12H,1-3H3;3-11H,1-2H3;3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;6*1H4;1H/q;3*+1;;;+1;;;;;;;/p+2/b18-17+;;;;;;;;;;;;;.

What are the key properties of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride?

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride has a molecular weight of 1830.70 g/mol, XLogP of 18.00, 19 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;chloride is sourced from PubChem (CID 157408593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).