6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C76H78B3Br2N7O8 — CID 158582585

About 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158582585) has the molecular formula C76H78B3Br2N7O8 and a molecular weight of 1409.74 g/mol. Its IUPAC name is 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158582585
• Molecular Formula: C76H78B3Br2N7O8
• Molecular Weight: 1409.74 g/mol
• Exact Mass: 1407.46
• IUPAC Name: 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.Cc1cc(Br)cc2cccnc12.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12
• InChI: InChI=1S/C24H17N3O.C16H20BNO2.C14H9BrN2O.C12H24B2O4.C10H8BrN/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16;1-11-9-13(10-12-7-6-8-18-14(11)12)17-19-15(2,3)16(4,5)20-17;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-5-9(11)6-8-3-2-4-12-10(7)8/h2-14H,1H3,(H,26,27,28);6-10H,1-5H3;1-8H,(H,16,17,18);1-8H3;2-6H,1H3
• InChIKey: HTKYOLQRQSTZGM-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 185.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.74
LogP ≤ 5	16.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158582585) is 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2cc3c(=O)cc[nH]c3nc2-c2ccccc2)cc2cccnc12.Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cccnc12.Cc1cc(Br)cc2cccnc12.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12.

What is the InChIKey of 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is HTKYOLQRQSTZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O.C16H20BNO2.C14H9BrN2O.C12H24B2O4.C10H8BrN/c1-15-12-18(13-17-8-5-10-25-22(15)17)19-14-20-21(28)9-11-26-24(20)27-23(19)16-6-3-2-4-7-16;1-11-9-13(10-12-7-6-8-18-14(11)12)17-19-15(2,3)16(4,5)20-17;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-5-9(11)6-8-3-2-4-12-10(7)8/h2-14H,1H3,(H,26,27,28);6-10H,1-5H3;1-8H,(H,16,17,18);1-8H3;2-6H,1H3.

What are the key properties of 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1409.74 g/mol, XLogP of 16.86, 5 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-methylquinoline;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;6-(8-methylquinolin-6-yl)-7-phenyl-1H-1,8-naphthyridin-4-one;8-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158582585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).