2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole

C43H25N7O3 — CID 141106718

About 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole

2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole (PubChem CID 141106718) has the molecular formula C43H25N7O3 and a molecular weight of 687.72 g/mol. Its IUPAC name is 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole
• PubChem CID: 141106718
• Molecular Formula: C43H25N7O3
• Molecular Weight: 687.72 g/mol
• Exact Mass: 687.20
• IUPAC Name: 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole
• SMILES: c1coc(-c2c(-c3ccc4ccc5ccccc5c4n3)c(-c3ncc[nH]3)c(-c3nccc4ccccc34)c3c(-c4ncco4)c(-c4ccon4)[nH]c23)c1
• InChI: InChI=1S/C43H25N7O3/c1-3-8-27-24(6-1)11-12-26-13-14-29(48-38(26)27)32-33(31-10-5-21-51-31)41-35(37(43-47-20-23-52-43)40(49-41)30-16-22-53-50-30)34(36(32)42-45-18-19-46-42)39-28-9-4-2-7-25(28)15-17-44-39/h1-23,49H,(H,45,46)
• InChIKey: XFZSYCJVBWNWEW-UHFFFAOYSA-N
• XLogP: 10.71
• TPSA: 135.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.72
LogP ≤ 5	10.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole?

The IUPAC name of 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole (CID 141106718) is 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole.

What is the SMILES notation for 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole?

The canonical SMILES for 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole is c1coc(-c2c(-c3ccc4ccc5ccccc5c4n3)c(-c3ncc[nH]3)c(-c3nccc4ccccc34)c3c(-c4ncco4)c(-c4ccon4)[nH]c23)c1.

What is the InChIKey of 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole?

The InChIKey is XFZSYCJVBWNWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N7O3/c1-3-8-27-24(6-1)11-12-26-13-14-29(48-38(26)27)32-33(31-10-5-21-51-31)41-35(37(43-47-20-23-52-43)40(49-41)30-16-22-53-50-30)34(36(32)42-45-18-19-46-42)39-28-9-4-2-7-25(28)15-17-44-39/h1-23,49H,(H,45,46).

What are the key properties of 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole?

2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole has a molecular weight of 687.72 g/mol, XLogP of 10.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-benzo[h]quinolin-2-yl-7-(furan-2-yl)-5-(1H-imidazol-2-yl)-4-isoquinolin-1-yl-2-(1,2-oxazol-3-yl)-1H-indol-3-yl]-1,3-oxazole is sourced from PubChem (CID 141106718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).