6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one

C₂₂H₂₆Cl₂N₂O₃Si — CID 155637455

About 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one

6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one (PubChem CID 155637455) has the molecular formula C₂₂H₂₆Cl₂N₂O₃Si and a molecular weight of 465.45 g/mol. Its IUPAC name is 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one.

Molecular Properties

• Compound Name: 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
• PubChem CID: 155637455
• Molecular Formula: C₂₂H₂₆Cl₂N₂O₃Si
• Molecular Weight: 465.45 g/mol
• Exact Mass: 464.11
• IUPAC Name: 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one
• SMILES: Cc1cc2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2n(COCC[Si](C)(C)C)c1=O
• InChI: InChI=1S/C22H26Cl2N2O3Si/c1-14-9-15-10-17(29-21-18(23)11-16(25)12-19(21)24)5-6-20(15)26(22(14)27)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13,25H2,1-4H3
• InChIKey: JHBISRHONYFKFV-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.45
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?

The IUPAC name of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one (CID 155637455) is 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one.

What is the SMILES notation for 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?

The canonical SMILES for 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one is Cc1cc2cc(Oc3c(Cl)cc(N)cc3Cl)ccc2n(COCC[Si](C)(C)C)c1=O.

What is the InChIKey of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?

The InChIKey is JHBISRHONYFKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3Si/c1-14-9-15-10-17(29-21-18(23)11-16(25)12-19(21)24)5-6-20(15)26(22(14)27)13-28-7-8-30(2,3)4/h5-6,9-12H,7-8,13,25H2,1-4H3.

What are the key properties of 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one?

6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one has a molecular weight of 465.45 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-amino-2,6-dichlorophenoxy)-3-methyl-1-(2-trimethylsilylethoxymethyl)quinolin-2-one is sourced from PubChem (CID 155637455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155637455 — identifiers, structure, computed properties (public domain)

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