1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide

C43H53N9O6 — CID 11125645

About 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide

1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide (PubChem CID 11125645) has the molecular formula C43H53N9O6 and a molecular weight of 791.95 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide
• PubChem CID: 11125645
• Molecular Formula: C43H53N9O6
• Molecular Weight: 791.95 g/mol
• Exact Mass: 791.41
• IUPAC Name: 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide
• SMILES: CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4[nH]c23)c2[nH]c3ccc(O)cc3c(=O)c12
• InChI: InChI=1S/C43H53N9O6/c1-50(2)22-18-44-34-14-10-28(38-36(34)40(55)30-24-26(53)8-12-32(30)48-38)42(57)46-16-6-20-52(5)21-7-17-47-43(58)29-11-15-35(45-19-23-51(3)4)37-39(29)49-33-13-9-27(54)25-31(33)41(37)56/h8-15,24-25,44-45,53-54H,6-7,16-23H2,1-5H3,(H,46,57)(H,47,58)(H,48,55)(H,49,56)
• InChIKey: KEFIXVVSOBOVIR-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 198.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 18
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	791.95
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?

The IUPAC name of 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide (CID 11125645) is 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide.

What is the SMILES notation for 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?

The canonical SMILES for 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide is CN(C)CCNc1ccc(C(=O)NCCCN(C)CCCNC(=O)c2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4[nH]c23)c2[nH]c3ccc(O)cc3c(=O)c12.

What is the InChIKey of 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?

The InChIKey is KEFIXVVSOBOVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N9O6/c1-50(2)22-18-44-34-14-10-28(38-36(34)40(55)30-24-26(53)8-12-32(30)48-38)42(57)46-16-6-20-52(5)21-7-17-47-43(58)29-11-15-35(45-19-23-51(3)4)37-39(29)49-33-13-9-27(54)25-31(33)41(37)56/h8-15,24-25,44-45,53-54H,6-7,16-23H2,1-5H3,(H,46,57)(H,47,58)(H,48,55)(H,49,56).

What are the key properties of 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide?

1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 791.95 g/mol, XLogP of 3.91, 18 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-hydroxy-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-hydroxy-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 11125645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).