7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline

C58H46N16O6 — CID 157105837

About 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline (PubChem CID 157105837) has the molecular formula C58H46N16O6 and a molecular weight of 1063.11 g/mol. Its IUPAC name is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline.

Molecular Properties

• Compound Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline
• PubChem CID: 157105837
• Molecular Formula: C58H46N16O6
• Molecular Weight: 1063.11 g/mol
• Exact Mass: 1062.38
• IUPAC Name: 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline
• SMILES: COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4cccnn34)ccnc2c1
• InChI: InChI=1S/C22H17N5O2.C20H16N6O2.C16H13N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-27-13-4-5-14-17(11-13)22-10-8-18(14)28-12-20-24-23-19-7-6-16(25-26(19)20)15-3-2-9-21-15;1-22-11-4-5-12-13(9-11)17-8-6-14(12)23-10-16-20-19-15-3-2-7-18-21(15)16/h2-13H,14H2,1H3;2-11,21H,12H2,1H3;2-9H,10H2,1H3
• InChIKey: AGHFKWAAODDGMO-UHFFFAOYSA-N
• XLogP: 9.44
• TPSA: 239.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 14
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.11
LogP ≤ 5	9.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline?

The IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline (CID 157105837) is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline.

What is the SMILES notation for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline?

The canonical SMILES for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline is COc1ccc2c(OCc3nnc4ccc(-c5ccc[nH]5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4cccnn34)ccnc2c1.

What is the InChIKey of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline?

The InChIKey is AGHFKWAAODDGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2.C20H16N6O2.C16H13N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15;1-27-13-4-5-14-17(11-13)22-10-8-18(14)28-12-20-24-23-19-7-6-16(25-26(19)20)15-3-2-9-21-15;1-22-11-4-5-12-13(9-11)17-8-6-14(12)23-10-16-20-19-15-3-2-7-18-21(15)16/h2-13H,14H2,1H3;2-11,21H,12H2,1H3;2-9H,10H2,1H3.

What are the key properties of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline?

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline has a molecular weight of 1063.11 g/mol, XLogP of 9.44, 14 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline;7-methoxy-4-[[6-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-4-([1,2,4]triazolo[4,3-b]pyridazin-3-ylmethoxy)quinoline is sourced from PubChem (CID 157105837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).