8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione

C75H40N20O10 — CID 159774344

About 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione

8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione (PubChem CID 159774344) has the molecular formula C75H40N20O10 and a molecular weight of 1381.27 g/mol. Its IUPAC name is 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione.

Molecular Properties

• Compound Name: 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
• PubChem CID: 159774344
• Molecular Formula: C75H40N20O10
• Molecular Weight: 1381.27 g/mol
• Exact Mass: 1380.32
• IUPAC Name: 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione
• SMILES: O=C1NC(=O)c2c1c1nc[nH]c1c1[nH]c3ccccc3c21.O=c1[nH]c(O)c2c1c1c3ccccc3nc1c1cncn12.O=c1[nH]c(O)c2c1c1c3ccccc3nc1c1nccn12.O=c1[nH]c(O)c2c1c1c3ccccc3nc1n1ccnc21.O=c1[nH]c(O)c2c1c1c3ccccc3nc1n1cncc21
• InChI: InChI=1S/5C15H8N4O2/c20-14-11-10-7-3-1-2-4-8(7)17-12(10)9-5-16-6-19(9)13(11)15(21)18-14;20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13;20-14-10-9-7-3-1-2-4-8(7)17-13(9)19-6-5-16-12(19)11(10)15(21)18-14;20-14-10-9-7-3-1-2-4-8(7)17-11(9)13-16-5-6-19(13)12(10)15(21)18-14;20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-6,21H,(H,18,20);1-6,20H,(H,18,21);2*1-6,21H,(H,18,20);1-5,18H,(H,16,17)(H,19,20,21)
• InChIKey: CAHDTASMCIIQPT-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 423.76 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1381.27
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione?

The IUPAC name of 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione (CID 159774344) is 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione.

What is the SMILES notation for 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione?

The canonical SMILES for 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione is O=C1NC(=O)c2c1c1nc[nH]c1c1[nH]c3ccccc3c21.O=c1[nH]c(O)c2c1c1c3ccccc3nc1c1cncn12.O=c1[nH]c(O)c2c1c1c3ccccc3nc1c1nccn12.O=c1[nH]c(O)c2c1c1c3ccccc3nc1n1ccnc21.O=c1[nH]c(O)c2c1c1c3ccccc3nc1n1cncc21.

What is the InChIKey of 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione?

The InChIKey is CAHDTASMCIIQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/5C15H8N4O2/c20-14-11-10-7-3-1-2-4-8(7)17-12(10)9-5-16-6-19(9)13(11)15(21)18-14;20-14-11-9-5-16-6-19(9)13-10(12(11)15(21)18-14)7-3-1-2-4-8(7)17-13;20-14-10-9-7-3-1-2-4-8(7)17-13(9)19-6-5-16-12(19)11(10)15(21)18-14;20-14-10-9-7-3-1-2-4-8(7)17-11(9)13-16-5-6-19(13)12(10)15(21)18-14;20-14-9-8-6-3-1-2-4-7(6)18-12(8)13-11(16-5-17-13)10(9)15(21)19-14/h1-6,21H,(H,18,20);1-6,20H,(H,18,21);2*1-6,21H,(H,18,20);1-5,18H,(H,16,17)(H,19,20,21).

What are the key properties of 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione?

8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione has a molecular weight of 1381.27 g/mol, XLogP of 10.16, 0 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 8-hydroxy-2,4,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-2,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),3,5,7,11,13,15,17-octaen-10-one;8-hydroxy-3,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;8-hydroxy-4,6,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(19),2,4,7,11,13,15,17-octaen-10-one;3,5,9,19-tetrazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione is sourced from PubChem (CID 159774344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).