ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate

C30H25NO5 — CID 3645938

About ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate

ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate (PubChem CID 3645938) has the molecular formula C30H25NO5 and a molecular weight of 479.53 g/mol. Its IUPAC name is ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
• PubChem CID: 3645938
• Molecular Formula: C30H25NO5
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.17
• IUPAC Name: ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate
• SMILES: CCOC(=O)C1C(c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12
• InChI: InChI=1S/C30H25NO5/c1-3-36-29(34)26-25(19-10-8-11-20(17-19)35-2)30(27(32)21-12-5-6-13-22(21)28(30)33)24-16-15-18-9-4-7-14-23(18)31(24)26/h4-17,24-26H,3H2,1-2H3
• InChIKey: WSSYBTFYTFMGJB-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 72.91 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?

The IUPAC name of ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate (CID 3645938) is ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate.

What is the SMILES notation for ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?

The canonical SMILES for ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate is CCOC(=O)C1C(c2cccc(OC)c2)C2(C(=O)c3ccccc3C2=O)C2C=Cc3ccccc3N12.

What is the InChIKey of ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?

The InChIKey is WSSYBTFYTFMGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO5/c1-3-36-29(34)26-25(19-10-8-11-20(17-19)35-2)30(27(32)21-12-5-6-13-22(21)28(30)33)24-16-15-18-9-4-7-14-23(18)31(24)26/h4-17,24-26H,3H2,1-2H3.

What are the key properties of ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate?

ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate has a molecular weight of 479.53 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-(3-methoxyphenyl)-1',3'-dioxospiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1-carboxylate is sourced from PubChem (CID 3645938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).