4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride

C₆₀H₆₁Cl₃N₁₀O₂ — CID 159214770

About 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride

4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride (PubChem CID 159214770) has the molecular formula C₆₀H₆₁Cl₃N₁₀O₂ and a molecular weight of 1060.57 g/mol. Its IUPAC name is 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride.

Molecular Properties

• Compound Name: 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride
• PubChem CID: 159214770
• Molecular Formula: C₆₀H₆₁Cl₃N₁₀O₂
• Molecular Weight: 1060.57 g/mol
• Exact Mass: 1058.40
• IUPAC Name: 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride
• SMILES: C.C.C[n+]1ccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1.Cc1ccc2c(Cl)ccnc2c1.Cc1ccc2c(Nc3ccc(C(=O)Nc4cccc(Nc5cc[n+](C)cc5)c4)cc3)ccnc2c1.[Cl-].[Cl-]
• InChI: InChI=1S/C29H25N5O.C19H18N4O.C10H8ClN.2CH4.2ClH/c1-20-6-11-26-27(12-15-30-28(26)18-20)32-22-9-7-21(8-10-22)29(35)33-25-5-3-4-24(19-25)31-23-13-16-34(2)17-14-23;1-23-11-9-16(10-12-23)21-17-3-2-4-18(13-17)22-19(24)14-5-7-15(20)8-6-14;1-7-2-3-8-9(11)4-5-12-10(8)6-7;;;;/h3-19H,1-2H3,(H2,30,32,33,35);2-13H,1H3,(H3,20,22,24);2-6H,1H3;2*1H4;2*1H
• InChIKey: GHLKXSJJZMWATO-UHFFFAOYSA-N
• XLogP: 7.67
• TPSA: 153.85 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.57
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride?

The IUPAC name of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride (CID 159214770) is 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride.

What is the SMILES notation for 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride?

The canonical SMILES for 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride is C.C.C[n+]1ccc(Nc2cccc(NC(=O)c3ccc(N)cc3)c2)cc1.Cc1ccc2c(Cl)ccnc2c1.Cc1ccc2c(Nc3ccc(C(=O)Nc4cccc(Nc5cc[n+](C)cc5)c4)cc3)ccnc2c1.[Cl-].[Cl-].

What is the InChIKey of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride?

The InChIKey is GHLKXSJJZMWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O.C19H18N4O.C10H8ClN.2CH4.2ClH/c1-20-6-11-26-27(12-15-30-28(26)18-20)32-22-9-7-21(8-10-22)29(35)33-25-5-3-4-24(19-25)31-23-13-16-34(2)17-14-23;1-23-11-9-16(10-12-23)21-17-3-2-4-18(13-17)22-19(24)14-5-7-15(20)8-6-14;1-7-2-3-8-9(11)4-5-12-10(8)6-7;;;;/h3-19H,1-2H3,(H2,30,32,33,35);2-13H,1H3,(H3,20,22,24);2-6H,1H3;2*1H4;2*1H.

What are the key properties of 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride?

4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride has a molecular weight of 1060.57 g/mol, XLogP of 7.67, 10 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide;4-chloro-7-methylquinoline;methane;N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-[(7-methylquinolin-4-yl)amino]benzamide;dichloride is sourced from PubChem (CID 159214770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159214770 — identifiers, structure, computed properties (public domain)

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