2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

C79H64BBr2N7O4 — CID 165060392

About 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline

2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (PubChem CID 165060392) has the molecular formula C79H64BBr2N7O4 and a molecular weight of 1346.05 g/mol. Its IUPAC name is 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

Molecular Properties

• Compound Name: 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• PubChem CID: 165060392
• Molecular Formula: C79H64BBr2N7O4
• Molecular Weight: 1346.05 g/mol
• Exact Mass: 1343.35
• IUPAC Name: 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
• SMILES: Brc1ccc2nc(-c3ccccc3)ccc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc3ccc(-c4ccccn4)nc3c2)OC1(C)C.Nc1ccc(Br)cc1C=O.c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccccn6)nc5c4)ccc3n2)cc1
• InChI: InChI=1S/C29H19N3.C20H21BN2O2.C15H10BrN.C8H8O.C7H6BrNO/c1-2-6-20(7-3-1)25-15-13-24-18-22(12-14-26(24)31-25)23-10-9-21-11-16-28(32-29(21)19-23)27-8-4-5-17-30-27;1-19(2)20(3,4)25-21(24-19)15-10-8-14-9-11-17(23-18(14)13-15)16-7-5-6-12-22-16;16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8;8-6-1-2-7(9)5(3-6)4-10/h1-19H;5-13H,1-4H3;1-10H;2-6H,1H3;1-4H,9H2
• InChIKey: RCHMHWVHEDXYNU-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 155.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.05
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The IUPAC name of 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline (CID 165060392) is 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline.

What is the SMILES notation for 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The canonical SMILES for 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is Brc1ccc2nc(-c3ccccc3)ccc2c1.CC(=O)c1ccccc1.CC1(C)OB(c2ccc3ccc(-c4ccccn4)nc3c2)OC1(C)C.Nc1ccc(Br)cc1C=O.c1ccc(-c2ccc3cc(-c4ccc5ccc(-c6ccccn6)nc5c4)ccc3n2)cc1.

What is the InChIKey of 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

The InChIKey is RCHMHWVHEDXYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3.C20H21BN2O2.C15H10BrN.C8H8O.C7H6BrNO/c1-2-6-20(7-3-1)25-15-13-24-18-22(12-14-26(24)31-25)23-10-9-21-11-16-28(32-29(21)19-23)27-8-4-5-17-30-27;1-19(2)20(3,4)25-21(24-19)15-10-8-14-9-11-17(23-18(14)13-15)16-7-5-6-12-22-16;16-13-7-9-15-12(10-13)6-8-14(17-15)11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8;8-6-1-2-7(9)5(3-6)4-10/h1-19H;5-13H,1-4H3;1-10H;2-6H,1H3;1-4H,9H2.

What are the key properties of 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline?

2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline has a molecular weight of 1346.05 g/mol, XLogP of 19.17, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromobenzaldehyde;6-bromo-2-phenylquinoline;1-phenylethanone;2-phenyl-6-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline is sourced from PubChem (CID 165060392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).