1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

C29H23NO4 — CID 3490311

About 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione

1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione (PubChem CID 3490311) has the molecular formula C29H23NO4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione.

Molecular Properties

• Compound Name: 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
• PubChem CID: 3490311
• Molecular Formula: C29H23NO4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.16
• IUPAC Name: 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
• SMILES: COc1ccc(C2C(C(C)=O)N3c4ccccc4C=CC3C23C(=O)c2ccccc2C3=O)cc1
• InChI: InChI=1S/C29H23NO4/c1-17(31)26-25(19-11-14-20(34-2)15-12-19)29(27(32)21-8-4-5-9-22(21)28(29)33)24-16-13-18-7-3-6-10-23(18)30(24)26/h3-16,24-26H,1-2H3
• InChIKey: WUTWBAGRLZOVEL-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 63.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	4.72
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-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The IUPAC name of 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione (CID 3490311) is 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione.

What is the SMILES notation for 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The canonical SMILES for 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione is COc1ccc(C2C(C(C)=O)N3c4ccccc4C=CC3C23C(=O)c2ccccc2C3=O)cc1.

What is the InChIKey of 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

The InChIKey is WUTWBAGRLZOVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO4/c1-17(31)26-25(19-11-14-20(34-2)15-12-19)29(27(32)21-8-4-5-9-22(21)28(29)33)24-16-13-18-7-3-6-10-23(18)30(24)26/h3-16,24-26H,1-2H3.

What are the key properties of 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione?

1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione has a molecular weight of 449.51 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-2-(4-methoxyphenyl)spiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione is sourced from PubChem (CID 3490311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).