2-Methoxyisoquinolin-1-one

C₁₀H₉NO₂ — CID 15652843

About 2-Methoxyisoquinolin-1-one

2-Methoxyisoquinolin-1-one (PubChem CID 15652843) has the molecular formula C₁₀H₉NO₂ and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-methoxyisoquinolin-1-one.

Molecular Properties

• Compound Name: 2-Methoxyisoquinolin-1-one
• PubChem CID: 15652843
• Molecular Formula: C₁₀H₉NO₂
• Molecular Weight: 175.19 g/mol
• Exact Mass: 175.06
• IUPAC Name: 2-methoxyisoquinolin-1-one
• SMILES: COn1ccc2ccccc2c1=O
• InChI: InChI=1S/C10H9NO2/c1-13-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3
• InChIKey: NFOUTENTJWWWJN-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 31.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.19
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-Methoxyisoquinolin-1-one?

The IUPAC name of 2-Methoxyisoquinolin-1-one (CID 15652843) is 2-methoxyisoquinolin-1-one.

What is the SMILES notation for 2-Methoxyisoquinolin-1-one?

The canonical SMILES for 2-Methoxyisoquinolin-1-one is COn1ccc2ccccc2c1=O.

What is the InChIKey of 2-Methoxyisoquinolin-1-one?

The InChIKey is NFOUTENTJWWWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3.

What are the key properties of 2-Methoxyisoquinolin-1-one?

2-Methoxyisoquinolin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-Methoxyisoquinolin-1-one is sourced from PubChem (CID 15652843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15652843 — identifiers, structure, computed properties (public domain)

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