4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc

C93H81FN8O8Zn8 — CID 157390666

About 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc

4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc (PubChem CID 157390666) has the molecular formula C93H81FN8O8Zn8 and a molecular weight of 1981.84 g/mol. Its IUPAC name is 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc.

Molecular Properties

• Compound Name: 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc
• PubChem CID: 157390666
• Molecular Formula: C93H81FN8O8Zn8
• Molecular Weight: 1981.84 g/mol
• Exact Mass: 1969.06
• IUPAC Name: 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc
• SMILES: CC(C)c1ccc2cccc(O)c2n1.CC(C)c1ccc2cccnc2c1O.Cc1ccc(O)c2ncccc12.Cc1ccc2ccc(C)c(O)c2n1.Oc1ccc(-c2ccccc2)c2cccnc12.Oc1ccc(F)c2cccnc12.Oc1cccc2ccc(-c3ccccc3)nc12.[2H]c1ccnc2c(O)cccc12.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn]
• InChI: InChI=1S/2C15H11NO.2C12H13NO.C11H11NO.C10H9NO.C9H6FNO.C9H7NO.8Zn/c17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;17-14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11;1-8(2)10-6-5-9-4-3-7-13-11(9)12(10)14;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-7-3-5-9-6-4-8(2)12-10(9)11(7)13;1-7-4-5-9(12)10-8(7)3-2-6-11-10;10-7-3-4-8(12)9-6(7)2-1-5-11-9;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;/h2*1-10,17H;2*3-8,14H,1-2H3;3-6,13H,1-2H3;2-6,12H,1H3;1-5,12H;1-6,11H;;;;;;;;/i;;;;;;;4D
• InChIKey: SVCZWWDRWRRJON-MZICMTDGSA-N
• XLogP: 22.15
• TPSA: 264.96 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.84
LogP ≤ 5	22.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc?

The IUPAC name of 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc (CID 157390666) is 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc.

What is the SMILES notation for 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc?

The canonical SMILES for 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc is CC(C)c1ccc2cccc(O)c2n1.CC(C)c1ccc2cccnc2c1O.Cc1ccc(O)c2ncccc12.Cc1ccc2ccc(C)c(O)c2n1.Oc1ccc(-c2ccccc2)c2cccnc12.Oc1ccc(F)c2cccnc12.Oc1cccc2ccc(-c3ccccc3)nc12.[2H]c1ccnc2c(O)cccc12.[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].[Zn].

What is the InChIKey of 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc?

The InChIKey is SVCZWWDRWRRJON-MZICMTDGSA-N. The full InChI is InChI=1S/2C15H11NO.2C12H13NO.C11H11NO.C10H9NO.C9H6FNO.C9H7NO.8Zn/c17-14-9-8-12(11-5-2-1-3-6-11)13-7-4-10-16-15(13)14;17-14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11;1-8(2)10-6-5-9-4-3-7-13-11(9)12(10)14;1-8(2)10-7-6-9-4-3-5-11(14)12(9)13-10;1-7-3-5-9-6-4-8(2)12-10(9)11(7)13;1-7-4-5-9(12)10-8(7)3-2-6-11-10;10-7-3-4-8(12)9-6(7)2-1-5-11-9;11-8-5-1-3-7-4-2-6-10-9(7)8;;;;;;;;/h2*1-10,17H;2*3-8,14H,1-2H3;3-6,13H,1-2H3;2-6,12H,1H3;1-5,12H;1-6,11H;;;;;;;;/i;;;;;;;4D;;;;;;;;.

What are the key properties of 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc?

4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc has a molecular weight of 1981.84 g/mol, XLogP of 22.15, 4 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-deuterioquinolin-8-ol;2,7-dimethylquinolin-8-ol;5-fluoroquinolin-8-ol;5-methylquinolin-8-ol;2-phenylquinolin-8-ol;5-phenylquinolin-8-ol;2-propan-2-ylquinolin-8-ol;7-propan-2-ylquinolin-8-ol;zinc is sourced from PubChem (CID 157390666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).