[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

C32H26Cl2N2O3 — CID 4313438

About [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4313438) has the molecular formula C32H26Cl2N2O3 and a molecular weight of 557.48 g/mol. Its IUPAC name is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 4313438
• Molecular Formula: C32H26Cl2N2O3
• Molecular Weight: 557.48 g/mol
• Exact Mass: 556.13
• IUPAC Name: [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: CC(OC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc(Cl)c1Cl)CCC2)C(=O)N1CCc2ccccc21
• InChI: InChI=1S/C32H26Cl2N2O3/c1-19(31(37)36-17-16-20-8-2-5-15-27(20)36)39-32(38)28-23-11-3-4-14-26(23)35-30-22(10-6-12-24(28)30)18-21-9-7-13-25(33)29(21)34/h2-5,7-9,11,13-15,18-19H,6,10,12,16-17H2,1H3
• InChIKey: VAHPTGIGMWCRSE-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.48
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate (CID 4313438) is [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is CC(OC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc(Cl)c1Cl)CCC2)C(=O)N1CCc2ccccc21.

What is the InChIKey of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is VAHPTGIGMWCRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N2O3/c1-19(31(37)36-17-16-20-8-2-5-15-27(20)36)39-32(38)28-23-11-3-4-14-26(23)35-30-22(10-6-12-24(28)30)18-21-9-7-13-25(33)29(21)34/h2-5,7-9,11,13-15,18-19H,6,10,12,16-17H2,1H3.

What are the key properties of [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate?

[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 557.48 g/mol, XLogP of 7.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-[(2,3-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4313438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).