6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid

C₆₂H₄₅BBr₂N₈O₅ — CID 160541991

About 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid

6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid (PubChem CID 160541991) has the molecular formula C₆₂H₄₅BBr₂N₈O₅ and a molecular weight of 1152.71 g/mol. Its IUPAC name is 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid.

Molecular Properties

• Compound Name: 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid
• PubChem CID: 160541991
• Molecular Formula: C₆₂H₄₅BBr₂N₈O₅
• Molecular Weight: 1152.71 g/mol
• Exact Mass: 1150.20
• IUPAC Name: 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid
• SMILES: Cn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.Cn1ccc(=O)c2cc(Br)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12.OB(O)c1ccc2ncccc2c1
• InChI: InChI=1S/C24H17N3O.C15H11BrN2O.C14H9BrN2O.C9H8BNO2/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;1-18-8-7-13(19)11-9-12(16)14(17-15(11)18)10-5-3-2-4-6-10;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h2-15H,1H3;2-9H,1H3;1-8H,(H,16,17,18);1-6,12-13H
• InChIKey: QWXDBBXQJQTLRD-UHFFFAOYSA-N
• XLogP: 11.45
• TPSA: 181.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.71
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?

The IUPAC name of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid (CID 160541991) is 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid.

What is the SMILES notation for 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?

The canonical SMILES for 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid is Cn1ccc(=O)c2cc(-c3ccc4ncccc4c3)c(-c3ccccc3)nc21.Cn1ccc(=O)c2cc(Br)c(-c3ccccc3)nc21.O=c1cc[nH]c2nc(-c3ccccc3)c(Br)cc12.OB(O)c1ccc2ncccc2c1.

What is the InChIKey of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?

The InChIKey is QWXDBBXQJQTLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O.C15H11BrN2O.C14H9BrN2O.C9H8BNO2/c1-27-13-11-22(28)20-15-19(17-9-10-21-18(14-17)8-5-12-25-21)23(26-24(20)27)16-6-3-2-4-7-16;1-18-8-7-13(19)11-9-12(16)14(17-15(11)18)10-5-3-2-4-6-10;15-11-8-10-12(18)6-7-16-14(10)17-13(11)9-4-2-1-3-5-9;12-10(13)8-3-4-9-7(6-8)2-1-5-11-9/h2-15H,1H3;2-9H,1H3;1-8H,(H,16,17,18);1-6,12-13H.

What are the key properties of 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid?

6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid has a molecular weight of 1152.71 g/mol, XLogP of 11.45, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1-methyl-7-phenyl-1,8-naphthyridin-4-one;6-bromo-7-phenyl-1H-1,8-naphthyridin-4-one;1-methyl-7-phenyl-6-quinolin-6-yl-1,8-naphthyridin-4-one;quinolin-6-ylboronic acid is sourced from PubChem (CID 160541991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160541991 — identifiers, structure, computed properties (public domain)

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