zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

C46H30N8O3Zn — CID 72694410

About zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (PubChem CID 72694410) has the molecular formula C46H30N8O3Zn and a molecular weight of 808.19 g/mol. Its IUPAC name is zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

Molecular Properties

• Compound Name: zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• PubChem CID: 72694410
• Molecular Formula: C46H30N8O3Zn
• Molecular Weight: 808.19 g/mol
• Exact Mass: 806.17
• IUPAC Name: zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
• SMILES: [Zn+2].c1ccc2c(c1)-c1cc3[n-]c(nc4nc(nc5[n-]c(nc-2n1)c1ccccc51)-c1cccc(OCCOCCOc2cccc5cccnc25)c1-4)c1ccccc31
• InChI: InChI=1S/C46H30N8O3.Zn/c1-3-14-30-28(12-1)35-26-36-29-13-2-4-15-31(29)42(49-36)53-46-39-34(45(54-46)52-44-33-17-6-5-16-32(33)43(51-44)50-41(30)48-35)18-8-19-37(39)56-24-22-55-23-25-57-38-20-7-10-27-11-9-21-47-40(27)38;/h1-21,26H,22-25H2;/q-2;+2
• InChIKey: PNUPEXGOJKXULV-UHFFFAOYSA-N
• XLogP: 8.75
• TPSA: 133.23 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.19
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The IUPAC name of zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene (CID 72694410) is zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene.

What is the SMILES notation for zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The canonical SMILES for zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is [Zn+2].c1ccc2c(c1)-c1cc3[n-]c(nc4nc(nc5[n-]c(nc-2n1)c1ccccc51)-c1cccc(OCCOCCOc2cccc5cccnc25)c1-4)c1ccccc31.

What is the InChIKey of zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

The InChIKey is PNUPEXGOJKXULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N8O3.Zn/c1-3-14-30-28(12-1)35-26-36-29-13-2-4-15-31(29)42(49-36)53-46-39-34(45(54-46)52-44-33-17-6-5-16-32(33)43(51-44)50-41(30)48-35)18-8-19-37(39)56-24-22-55-23-25-57-38-20-7-10-27-11-9-21-47-40(27)38;/h1-21,26H,22-25H2;/q-2;+2.

What are the key properties of zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene?

zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene has a molecular weight of 808.19 g/mol, XLogP of 8.75, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for zinc 17-[2-(2-quinolin-8-yloxyethoxy)ethoxy]-2,11,20,37,39-pentaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene is sourced from PubChem (CID 72694410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).