6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C73H65BBr2N16O2 — CID 158544427

About 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 158544427) has the molecular formula C73H65BBr2N16O2 and a molecular weight of 1369.05 g/mol. Its IUPAC name is 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 158544427
• Molecular Formula: C73H65BBr2N16O2
• Molecular Weight: 1369.05 g/mol
• Exact Mass: 1366.39
• IUPAC Name: 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.Cc1cc(Br)cc2cccnc12.Nc1nnc(Br)c(-c2ccccc2)n1
• InChI: InChI=1S/2C19H15N5.C16H20BNO2.C10H8BrN.C9H7BrN4/c2*1-12-10-15(11-14-8-5-9-21-16(12)14)18-17(22-19(20)24-23-18)13-6-3-2-4-7-13;1-11-9-13(10-12-7-6-8-18-14(11)12)17-19-15(2,3)16(4,5)20-17;1-7-5-9(11)6-8-3-2-4-12-10(7)8;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,1-5H3;2-6H,1H3;1-5H,(H2,11,12,14)
• InChIKey: HOXUNPOJPHQKHM-UHFFFAOYSA-N
• XLogP: 15.32
• TPSA: 264.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.05
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 158544427) is 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

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

The canonical SMILES for 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc2cccnc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.Cc1cc(Br)cc2cccnc12.Nc1nnc(Br)c(-c2ccccc2)n1.

What is the InChIKey of 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is HOXUNPOJPHQKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15N5.C16H20BNO2.C10H8BrN.C9H7BrN4/c2*1-12-10-15(11-14-8-5-9-21-16(12)14)18-17(22-19(20)24-23-18)13-6-3-2-4-7-13;1-11-9-13(10-12-7-6-8-18-14(11)12)17-19-15(2,3)16(4,5)20-17;1-7-5-9(11)6-8-3-2-4-12-10(7)8;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,1-5H3;2-6H,1H3;1-5H,(H2,11,12,14).

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

6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1369.05 g/mol, XLogP of 15.32, 6 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-methylquinoline;6-bromo-5-phenyl-1,2,4-triazin-3-amine;bis(6-(8-methylquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine);8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 158544427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).