2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide

C60H69N7O18 — CID 170930187

About 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide

2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide (PubChem CID 170930187) has the molecular formula C60H69N7O18 and a molecular weight of 1176.24 g/mol. Its IUPAC name is 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide.

Molecular Properties

• Compound Name: 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide
• PubChem CID: 170930187
• Molecular Formula: C60H69N7O18
• Molecular Weight: 1176.24 g/mol
• Exact Mass: 1175.47
• IUPAC Name: 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide
• SMILES: COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2-c2n[nH]nc2-c2ccccc21)CC3OC1CC2C(OC3C(OC)OCCN23)C(C)O1
• InChI: InChI=1S/C60H69N7O18/c1-33-56-40(66-19-22-82-58(77-3)57(66)85-56)29-45(83-33)84-42-31-60(75,30-38-47(42)55(73)49-48(53(38)71)52(70)37-12-8-14-41(76-2)46(37)54(49)72)59(74)62-18-21-79-24-26-81-28-27-80-25-23-78-20-16-43(68)61-17-15-44(69)67-32-34-9-4-5-10-35(34)50-51(64-65-63-50)36-11-6-7-13-39(36)67/h4-14,33,40,42,45,56-58,71,73,75H,15-32H2,1-3H3,(H,61,68)(H,62,74)(H,63,64,65)
• InChIKey: JBQOOHIGBFCNFA-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 310.45 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1176.24
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide?

The IUPAC name of 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide (CID 170930187) is 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide.

What is the SMILES notation for 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide?

The canonical SMILES for 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide is COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(=O)NCCOCCOCCOCCOCCC(=O)NCCC(=O)N1Cc2ccccc2-c2n[nH]nc2-c2ccccc21)CC3OC1CC2C(OC3C(OC)OCCN23)C(C)O1.

What is the InChIKey of 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide?

The InChIKey is JBQOOHIGBFCNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H69N7O18/c1-33-56-40(66-19-22-82-58(77-3)57(66)85-56)29-45(83-33)84-42-31-60(75,30-38-47(42)55(73)49-48(53(38)71)52(70)37-12-8-14-41(76-2)46(37)54(49)72)59(74)62-18-21-79-24-26-81-28-27-80-25-23-78-20-16-43(68)61-17-15-44(69)67-32-34-9-4-5-10-35(34)50-51(64-65-63-50)36-11-6-7-13-39(36)67/h4-14,33,40,42,45,56-58,71,73,75H,15-32H2,1-3H3,(H,61,68)(H,62,74)(H,63,64,65).

What are the key properties of 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide?

2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide has a molecular weight of 1176.24 g/mol, XLogP of 3.23, 23 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5,12-trihydroxy-7-methoxy-4-[(10-methoxy-6-methyl-5,8,11-trioxa-1-azatricyclo[7.4.0.02,7]tridecan-4-yl)oxy]-6,11-dioxo-N-[2-[2-[2-[2-[3-oxo-3-[[3-oxo-3-(3,4,5,13-tetrazatetracyclo[13.4.0.02,6.07,12]nonadeca-1(19),2,5,7,9,11,15,17-octaen-13-yl)propyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,4-dihydro-1H-tetracene-2-carboxamide is sourced from PubChem (CID 170930187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).