2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione

C128H143N19O21 — CID 158308034

About 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione

2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 158308034) has the molecular formula C128H143N19O21 and a molecular weight of 2283.66 g/mol. Its IUPAC name is 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

• Compound Name: 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione
• PubChem CID: 158308034
• Molecular Formula: C128H143N19O21
• Molecular Weight: 2283.66 g/mol
• Exact Mass: 2282.07
• IUPAC Name: 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione
• SMILES: CN(C)CCOCCOCCN(CCCN(C)CCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O)CCN1C(=O)c2cccc3cccc(c23)C1=O.CN(CCCN(CCOCCOCCO)CCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O.COCCOCCOCCOCCN(CCCN(C)CCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O)CCN1C(=O)c2cccc3cccc(c23)C1=O
• InChI: InChI=1S/C44H50N6O8.C43H49N7O6.C41H44N6O7/c1-46(19-21-49-43(53)36-12-5-9-33-38(48-18-15-45-31-48)14-13-37(40(33)36)44(49)54)16-6-17-47(23-24-56-27-28-58-30-29-57-26-25-55-2)20-22-50-41(51)34-10-3-7-32-8-4-11-35(39(32)34)42(50)52;1-45(2)24-26-55-28-29-56-27-25-47(21-23-50-40(51)33-11-4-8-31-9-5-12-34(38(31)33)41(50)52)18-7-17-46(3)20-22-49-42(53)35-13-6-10-32-37(48-19-16-44-30-48)15-14-36(39(32)35)43(49)54;1-43(18-20-46-40(51)33-11-4-8-30-35(45-17-14-42-28-45)13-12-34(37(30)33)41(46)52)15-5-16-44(22-24-53-26-27-54-25-23-48)19-21-47-38(49)31-9-2-6-29-7-3-10-32(36(29)31)39(47)50/h3-5,7-15,18,31H,6,16-17,19-30H2,1-2H3;4-6,8-16,19,30H,7,17-18,20-29H2,1-3H3;2-4,6-14,17,28,48H,5,15-16,18-27H2,1H3
• InChIKey: GNIHQYMTLLVKHW-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 394.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 62
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2283.66
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione?

The IUPAC name of 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione (CID 158308034) is 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione.

What is the SMILES notation for 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione?

The canonical SMILES for 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione is CN(C)CCOCCOCCN(CCCN(C)CCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O)CCN1C(=O)c2cccc3cccc(c23)C1=O.CN(CCCN(CCOCCOCCO)CCN1C(=O)c2cccc3cccc(c23)C1=O)CCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O.COCCOCCOCCOCCN(CCCN(C)CCN1C(=O)c2cccc3c(-n4ccnc4)ccc(c23)C1=O)CCN1C(=O)c2cccc3cccc(c23)C1=O.

What is the InChIKey of 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione?

The InChIKey is GNIHQYMTLLVKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50N6O8.C43H49N7O6.C41H44N6O7/c1-46(19-21-49-43(53)36-12-5-9-33-38(48-18-15-45-31-48)14-13-37(40(33)36)44(49)54)16-6-17-47(23-24-56-27-28-58-30-29-57-26-25-55-2)20-22-50-41(51)34-10-3-7-32-8-4-11-35(39(32)34)42(50)52;1-45(2)24-26-55-28-29-56-27-25-47(21-23-50-40(51)33-11-4-8-31-9-5-12-34(38(31)33)41(50)52)18-7-17-46(3)20-22-49-42(53)35-13-6-10-32-37(48-19-16-44-30-48)15-14-36(39(32)35)43(49)54;1-43(18-20-46-40(51)33-11-4-8-30-35(45-17-14-42-28-45)13-12-34(37(30)33)41(46)52)15-5-16-44(22-24-53-26-27-54-25-23-48)19-21-47-38(49)31-9-2-6-29-7-3-10-32(36(29)31)39(47)50/h3-5,7-15,18,31H,6,16-17,19-30H2,1-2H3;4-6,8-16,19,30H,7,17-18,20-29H2,1-3H3;2-4,6-14,17,28,48H,5,15-16,18-27H2,1H3.

What are the key properties of 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione?

2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 2283.66 g/mol, XLogP of 12.40, 62 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethyl-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione;2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]propyl-methylamino]ethyl]-6-imidazol-1-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 158308034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).