[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C31H26N2O3 — CID 6522843

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 6522843) has the molecular formula C31H26N2O3 and a molecular weight of 474.56 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

• Compound Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• PubChem CID: 6522843
• Molecular Formula: C31H26N2O3
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.19
• IUPAC Name: [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• SMILES: Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCc3ccccc32)cc1
• InChI: InChI=1S/C31H26N2O3/c1-20-10-12-21(13-11-20)18-23-14-15-25-29(24-7-3-4-8-26(24)32-30(23)25)31(35)36-19-28(34)33-17-16-22-6-2-5-9-27(22)33/h2-13,18H,14-17,19H2,1H3/b23-18+
• InChIKey: VQRCHQCOYVKDDV-PTGBLXJZSA-N
• XLogP: 5.78
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 6522843) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)N2CCc3ccccc32)cc1.

What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The InChIKey is VQRCHQCOYVKDDV-PTGBLXJZSA-N. The full InChI is InChI=1S/C31H26N2O3/c1-20-10-12-21(13-11-20)18-23-14-15-25-29(24-7-3-4-8-26(24)32-30(23)25)31(35)36-19-28(34)33-17-16-22-6-2-5-9-27(22)33/h2-13,18H,14-17,19H2,1H3/b23-18+.

What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 474.56 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3E)-3-[(4-methylphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 6522843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).