2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide

C50H51Cl4N8O6S2+ — CID 123922516

About 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide

2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide (PubChem CID 123922516) has the molecular formula C50H51Cl4N8O6S2+ and a molecular weight of 1065.95 g/mol. Its IUPAC name is 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide
• PubChem CID: 123922516
• Molecular Formula: C50H51Cl4N8O6S2+
• Molecular Weight: 1065.95 g/mol
• Exact Mass: 1063.21
• IUPAC Name: 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide
• SMILES: CCNC1Cc2c(cc(NC(=O)c3c(Cl)cccc3Cl)c[n+]2Cc2cccc(S(=O)(=O)N3CC(N(CC)CC)Cc4ncc(NC(=O)c5c(Cl)cccc5Cl)cc43)c2)N(S(=O)(=O)c2cccc(C)c2)C1
• InChI: InChI=1S/C50H50Cl4N8O6S2/c1-5-55-34-23-45-46(61(29-34)69(65,66)37-14-8-12-31(4)20-37)24-35(58-50(64)48-41(53)18-11-19-42(48)54)28-60(45)27-32-13-9-15-38(21-32)70(67,68)62-30-36(59(6-2)7-3)25-43-44(62)22-33(26-56-43)57-49(63)47-39(51)16-10-17-40(47)52/h8-22,24,26,28,34,36,55H,5-7,23,25,27,29-30H2,1-4H3,(H-,57,58,63,64)/p+1
• InChIKey: GDYOOECISYGGBI-UHFFFAOYSA-O
• XLogP: 9.04
• TPSA: 165.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1065.95
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide?

The IUPAC name of 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide (CID 123922516) is 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide.

What is the SMILES notation for 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide?

The canonical SMILES for 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide is CCNC1Cc2c(cc(NC(=O)c3c(Cl)cccc3Cl)c[n+]2Cc2cccc(S(=O)(=O)N3CC(N(CC)CC)Cc4ncc(NC(=O)c5c(Cl)cccc5Cl)cc43)c2)N(S(=O)(=O)c2cccc(C)c2)C1.

What is the InChIKey of 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide?

The InChIKey is GDYOOECISYGGBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C50H50Cl4N8O6S2/c1-5-55-34-23-45-46(61(29-34)69(65,66)37-14-8-12-31(4)20-37)24-35(58-50(64)48-41(53)18-11-19-42(48)54)28-60(45)27-32-13-9-15-38(21-32)70(67,68)62-30-36(59(6-2)7-3)25-43-44(62)22-33(26-56-43)57-49(63)47-39(51)16-10-17-40(47)52/h8-22,24,26,28,34,36,55H,5-7,23,25,27,29-30H2,1-4H3,(H-,57,58,63,64)/p+1.

What are the key properties of 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide?

2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide has a molecular weight of 1065.95 g/mol, XLogP of 9.04, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dichloro-N-[5-[3-[[3-[(2,6-dichlorobenzoyl)amino]-7-(ethylamino)-5-(3-methylphenyl)sulfonyl-7,8-dihydro-6H-1,5-naphthyridin-1-ium-1-yl]methyl]phenyl]sulfonyl-7-(diethylamino)-7,8-dihydro-6H-1,5-naphthyridin-3-yl]benzamide is sourced from PubChem (CID 123922516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).