15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione

C43H45N9O8 — CID 11170329

About 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione

15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione (PubChem CID 11170329) has the molecular formula C43H45N9O8 and a molecular weight of 815.89 g/mol. Its IUPAC name is 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione.

Molecular Properties

• Compound Name: 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
• PubChem CID: 11170329
• Molecular Formula: C43H45N9O8
• Molecular Weight: 815.89 g/mol
• Exact Mass: 815.34
• IUPAC Name: 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
• SMILES: CN(C)CCn1c(=O)c2ccc(NCCN(C)CCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccc(O)cc6c(=O)c3c45)c3c(=O)c4cc(O)ccc4n(c1=O)c23
• InChI: InChI=1S/C43H45N9O8/c1-46(2)18-20-49-40(57)26-8-10-30(34-36(26)51(42(49)59)32-12-6-24(53)22-28(32)38(34)55)44-14-16-48(5)17-15-45-31-11-9-27-37-35(31)39(56)29-23-25(54)7-13-33(29)52(37)43(60)50(41(27)58)21-19-47(3)4/h6-13,22-23,44-45,53-54H,14-21H2,1-5H3
• InChIKey: ABZAFHRQSBPEDK-UHFFFAOYSA-N
• XLogP: 1.43
• TPSA: 195.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	815.89
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione?

The IUPAC name of 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione (CID 11170329) is 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione.

What is the SMILES notation for 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione?

The canonical SMILES for 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione is CN(C)CCn1c(=O)c2ccc(NCCN(C)CCNc3ccc4c(=O)n(CCN(C)C)c(=O)n5c6ccc(O)cc6c(=O)c3c45)c3c(=O)c4cc(O)ccc4n(c1=O)c23.

What is the InChIKey of 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione?

The InChIKey is ABZAFHRQSBPEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N9O8/c1-46(2)18-20-49-40(57)26-8-10-30(34-36(26)51(42(49)59)32-12-6-24(53)22-28(32)38(34)55)44-14-16-48(5)17-15-45-31-11-9-27-37-35(31)39(56)29-23-25(54)7-13-33(29)52(37)43(60)50(41(27)58)21-19-47(3)4/h6-13,22-23,44-45,53-54H,14-21H2,1-5H3.

What are the key properties of 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione?

15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione has a molecular weight of 815.89 g/mol, XLogP of 1.43, 14 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione is sourced from PubChem (CID 11170329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).