diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc

C68H48Be2N8O10S2Zn2+4 — CID 157266676

About diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc

diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc (PubChem CID 157266676) has the molecular formula C68H48Be2N8O10S2Zn2+4 and a molecular weight of 1350.12 g/mol. Its IUPAC name is diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc.

Molecular Properties

• Compound Name: diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc
• PubChem CID: 157266676
• Molecular Formula: C68H48Be2N8O10S2Zn2+4
• Molecular Weight: 1350.12 g/mol
• Exact Mass: 1346.17
• IUPAC Name: diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc
• SMILES: Cn1c(=O)c(-c2[nH+]c3ccccc3o2)c([O-])c2ccccc21.Cn1c(=O)c(-c2[nH+]c3ccccc3s2)c([O-])c2ccccc21.Cn1c(=O)c(-c2nc3ccccc3o2)c(O)c2ccccc21.Cn1c(=O)c(-c2nc3ccccc3s2)c(O)c2ccccc21.[Be+2].[Be+2].[Zn].[Zn]
• InChI: InChI=1S/2C17H12N2O3.2C17H12N2O2S.2Be.2Zn/c4*1-19-12-8-4-2-6-10(12)15(20)14(17(19)21)16-18-11-7-3-5-9-13(11)22-16;;;;/h4*2-9,20H,1H3;;;;/q;;;;2*+2
• InChIKey: SRYLNTMKIOXSJY-UHFFFAOYSA-N
• XLogP: 9.95
• TPSA: 254.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 4
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.12
LogP ≤ 5	9.95
H-Bond Donors ≤ 5	2
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 diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc?

The IUPAC name of diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc (CID 157266676) is diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc.

What is the SMILES notation for diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc?

The canonical SMILES for diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc is Cn1c(=O)c(-c2[nH+]c3ccccc3o2)c([O-])c2ccccc21.Cn1c(=O)c(-c2[nH+]c3ccccc3s2)c([O-])c2ccccc21.Cn1c(=O)c(-c2nc3ccccc3o2)c(O)c2ccccc21.Cn1c(=O)c(-c2nc3ccccc3s2)c(O)c2ccccc21.[Be+2].[Be+2].[Zn].[Zn].

What is the InChIKey of diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc?

The InChIKey is SRYLNTMKIOXSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H12N2O3.2C17H12N2O2S.2Be.2Zn/c4*1-19-12-8-4-2-6-10(12)15(20)14(17(19)21)16-18-11-7-3-5-9-13(11)22-16;;;;/h4*2-9,20H,1H3;;;;/q;;;;2*+2;;.

What are the key properties of diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc?

diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc has a molecular weight of 1350.12 g/mol, XLogP of 9.95, 4 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for diberyllium;3-(1,3-benzothiazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzothiazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;3-(1,3-benzoxazol-3-ium-2-yl)-1-methyl-2-oxoquinolin-4-olate;3-(1,3-benzoxazol-2-yl)-4-hydroxy-1-methylquinolin-2-one;zinc is sourced from PubChem (CID 157266676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).