(4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate

C₁₃H₁₁NO₄ — CID 177422455

About (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate

(4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate (PubChem CID 177422455) has the molecular formula C₁₃H₁₁NO₄ and a molecular weight of 245.23 g/mol. Its IUPAC name is (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate.

Molecular Properties

• Compound Name: (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate
• PubChem CID: 177422455
• Molecular Formula: C₁₃H₁₁NO₄
• Molecular Weight: 245.23 g/mol
• Exact Mass: 245.07
• IUPAC Name: (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate
• SMILES: CC(=O)Oc1c(C)c2c(c3ncccc13)OCO2
• InChI: InChI=1S/C13H11NO4/c1-7-11(18-8(2)15)9-4-3-5-14-10(9)13-12(7)16-6-17-13/h3-5H,6H2,1-2H3
• InChIKey: VEERNPCJQVLMRG-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 57.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.23
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate?

The IUPAC name of (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate (CID 177422455) is (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate.

What is the SMILES notation for (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate?

The canonical SMILES for (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate is CC(=O)Oc1c(C)c2c(c3ncccc13)OCO2.

What is the InChIKey of (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate?

The InChIKey is VEERNPCJQVLMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-7-11(18-8(2)15)9-4-3-5-14-10(9)13-12(7)16-6-17-13/h3-5H,6H2,1-2H3.

What are the key properties of (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate?

(4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate has a molecular weight of 245.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-[1,3]dioxolo[4,5-h]quinolin-5-yl) acetate is sourced from PubChem (CID 177422455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 177422455 — identifiers, structure, computed properties (public domain)

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