1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

C30H24FNO4 — CID 3500319

About 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione (PubChem CID 3500319) has the molecular formula C30H24FNO4 and a molecular weight of 481.52 g/mol. Its IUPAC name is 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione.

Molecular Properties

• Compound Name: 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
• PubChem CID: 3500319
• Molecular Formula: C30H24FNO4
• Molecular Weight: 481.52 g/mol
• Exact Mass: 481.17
• IUPAC Name: 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
• SMILES: CCOc1ccccc1C1C(C(C)=O)N2c3ccc(F)cc3C=CC2C12C(=O)c1ccccc1C2=O
• InChI: InChI=1S/C30H24FNO4/c1-3-36-24-11-7-6-10-22(24)26-27(17(2)33)32-23-14-13-19(31)16-18(23)12-15-25(32)30(26)28(34)20-8-4-5-9-21(20)29(30)35/h4-16,25-27H,3H2,1-2H3
• InChIKey: ZYIITSFJYWTWLV-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 63.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.52
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The IUPAC name of 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione (CID 3500319) is 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione.

What is the SMILES notation for 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The canonical SMILES for 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione is CCOc1ccccc1C1C(C(C)=O)N2c3ccc(F)cc3C=CC2C12C(=O)c1ccccc1C2=O.

What is the InChIKey of 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The InChIKey is ZYIITSFJYWTWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FNO4/c1-3-36-24-11-7-6-10-22(24)26-27(17(2)33)32-23-14-13-19(31)16-18(23)12-15-25(32)30(26)28(34)20-8-4-5-9-21(20)29(30)35/h4-16,25-27H,3H2,1-2H3.

What are the key properties of 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione has a molecular weight of 481.52 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-2-(2-ethoxyphenyl)-7-fluorospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione is sourced from PubChem (CID 3500319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).