O-Methylglycosolone

C₁₇H₂₁NO₃ — CID 15491437

About O-Methylglycosolone

O-Methylglycosolone (PubChem CID 15491437) has the molecular formula C₁₇H₂₁NO₃ and a molecular weight of 287.36 g/mol. Its IUPAC name is 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.

Molecular Properties

• Compound Name: O-Methylglycosolone
• PubChem CID: 15491437
• Molecular Formula: C₁₇H₂₁NO₃
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.15
• IUPAC Name: 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
• SMILES: COc1c(CC=C(C)C)c(=O)n(C)c2c(OC)cccc12
• InChI: InChI=1S/C17H21NO3/c1-11(2)9-10-13-16(21-5)12-7-6-8-14(20-4)15(12)18(3)17(13)19/h6-9H,10H2,1-5H3
• InChIKey: SRNUIOCZZWKSIO-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 40.46 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of O-Methylglycosolone?

The IUPAC name of O-Methylglycosolone (CID 15491437) is 4,8-dimethoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one.

What is the SMILES notation for O-Methylglycosolone?

The canonical SMILES for O-Methylglycosolone is COc1c(CC=C(C)C)c(=O)n(C)c2c(OC)cccc12.

What is the InChIKey of O-Methylglycosolone?

The InChIKey is SRNUIOCZZWKSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(2)9-10-13-16(21-5)12-7-6-8-14(20-4)15(12)18(3)17(13)19/h6-9H,10H2,1-5H3.

What are the key properties of O-Methylglycosolone?

O-Methylglycosolone has a molecular weight of 287.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for O-Methylglycosolone is sourced from PubChem (CID 15491437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15491437 — identifiers, structure, computed properties (public domain)

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