[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

C29H25NO6 — CID 4543733

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (PubChem CID 4543733) has the molecular formula C29H25NO6 and a molecular weight of 483.52 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

Molecular Properties

• Compound Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• PubChem CID: 4543733
• Molecular Formula: C29H25NO6
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.17
• IUPAC Name: [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
• SMILES: COc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CCC3)c(OC)c1
• InChI: InChI=1S/C29H25NO6/c1-33-19-12-13-22(26(16-19)34-2)25(31)17-36-29(32)27-21-9-3-4-11-24(21)30-28-18(7-5-10-23(27)28)15-20-8-6-14-35-20/h3-4,6,8-9,11-16H,5,7,10,17H2,1-2H3
• InChIKey: RVMRJNUBPBXCER-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 87.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate (CID 4543733) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate.

What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is COc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)C(=Cc2ccco2)CCC3)c(OC)c1.

What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

The InChIKey is RVMRJNUBPBXCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO6/c1-33-19-12-13-22(26(16-19)34-2)25(31)17-36-29(32)27-21-9-3-4-11-24(21)30-28-18(7-5-10-23(27)28)15-20-8-6-14-35-20/h3-4,6,8-9,11-16H,5,7,10,17H2,1-2H3.

What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate?

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate has a molecular weight of 483.52 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 4-(furan-2-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is sourced from PubChem (CID 4543733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).