6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline

C73H64BBr2N16O6+ — CID 157491578

About 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline

6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 157491578) has the molecular formula C73H64BBr2N16O6+ and a molecular weight of 1432.04 g/mol. Its IUPAC name is 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 157491578
• Molecular Formula: C73H64BBr2N16O6+
• Molecular Weight: 1432.04 g/mol
• Exact Mass: 1429.36
• IUPAC Name: 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: COc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.COc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.COc1cc(Br)cc2cccnc12.Nc1nnc(Br)c(-c2ccccc2)n1.[CH2+]C1(C)OB(c2cc(OC)c3ncccc3c2)OC1(C)C
• InChI: InChI=1S/2C19H15N5O.C16H19BNO3.C10H8BrNO.C9H7BrN4/c2*1-25-15-11-14(10-13-8-5-9-21-16(13)15)18-17(22-19(20)24-23-18)12-6-3-2-4-7-12;1-15(2)16(3,4)21-17(20-15)12-9-11-7-6-8-18-14(11)13(10-12)19-5;1-13-9-6-8(11)5-7-3-2-4-12-10(7)9;10-8-7(12-9(11)14-13-8)6-4-2-1-3-5-6/h2*2-11H,1H3,(H2,20,22,24);6-10H,1H2,2-5H3;2-6H,1H3;1-5H,(H2,11,12,14)/q;;+1
• InChIKey: BXIKORRTGRHZFV-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 301.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.04
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 157491578) is 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline is COc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.COc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.COc1cc(Br)cc2cccnc12.Nc1nnc(Br)c(-c2ccccc2)n1.[CH2+]C1(C)OB(c2cc(OC)c3ncccc3c2)OC1(C)C.

What is the InChIKey of 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is BXIKORRTGRHZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15N5O.C16H19BNO3.C10H8BrNO.C9H7BrN4/c2*1-25-15-11-14(10-13-8-5-9-21-16(13)15)18-17(22-19(20)24-23-18)12-6-3-2-4-7-12;1-15(2)16(3,4)21-17(20-15)12-9-11-7-6-8-18-14(11)13(10-12)19-5;1-13-9-6-8(11)5-7-3-2-4-12-10(7)9;10-8-7(12-9(11)14-13-8)6-4-2-1-3-5-6/h2*2-11H,1H3,(H2,20,22,24);6-10H,1H2,2-5H3;2-6H,1H3;1-5H,(H2,11,12,14)/q;;+1;;.

What are the key properties of 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline?

6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1432.04 g/mol, XLogP of 13.94, 10 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-methoxyquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methoxy-6-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 157491578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).