Ethane;2-quinolin-2-ylindene-1,3-dione

C₂₀H₁₇NO₂ — CID 123277831

About Ethane;2-quinolin-2-ylindene-1,3-dione

Ethane;2-quinolin-2-ylindene-1,3-dione (PubChem CID 123277831) has the molecular formula C₂₀H₁₇NO₂ and a molecular weight of 303.36 g/mol. Its IUPAC name is ethane;2-quinolin-2-ylindene-1,3-dione.

Molecular Properties

• Compound Name: Ethane;2-quinolin-2-ylindene-1,3-dione
• PubChem CID: 123277831
• Molecular Formula: C₂₀H₁₇NO₂
• Molecular Weight: 303.36 g/mol
• Exact Mass: 303.13
• IUPAC Name: ethane;2-quinolin-2-ylindene-1,3-dione
• SMILES: CC.O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1
• InChI: InChI=1S/C18H11NO2.C2H6/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;1-2/h1-10,16H;1-2H3
• InChIKey: NPVAXLMUZQEYEM-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 47.03 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.36
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethane;2-quinolin-2-ylindene-1,3-dione?

The IUPAC name of Ethane;2-quinolin-2-ylindene-1,3-dione (CID 123277831) is ethane;2-quinolin-2-ylindene-1,3-dione.

What is the SMILES notation for Ethane;2-quinolin-2-ylindene-1,3-dione?

The canonical SMILES for Ethane;2-quinolin-2-ylindene-1,3-dione is CC.O=C1c2ccccc2C(=O)C1c1ccc2ccccc2n1.

What is the InChIKey of Ethane;2-quinolin-2-ylindene-1,3-dione?

The InChIKey is NPVAXLMUZQEYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2.C2H6/c20-17-12-6-2-3-7-13(12)18(21)16(17)15-10-9-11-5-1-4-8-14(11)19-15;1-2/h1-10,16H;1-2H3.

What are the key properties of Ethane;2-quinolin-2-ylindene-1,3-dione?

Ethane;2-quinolin-2-ylindene-1,3-dione has a molecular weight of 303.36 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ethane;2-quinolin-2-ylindene-1,3-dione is sourced from PubChem (CID 123277831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123277831 — identifiers, structure, computed properties (public domain)

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