[2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

C28H22N2O5 — CID 98560336

About [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

[2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (PubChem CID 98560336) has the molecular formula C28H22N2O5 and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

Molecular Properties

• Compound Name: [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• PubChem CID: 98560336
• Molecular Formula: C28H22N2O5
• Molecular Weight: 466.49 g/mol
• Exact Mass: 466.15
• IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
• SMILES: CC(=O)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2
• InChI: InChI=1S/C28H22N2O5/c1-17(31)20-8-2-4-10-23(20)29-25(32)16-35-28(33)26-21-9-3-5-11-24(21)30-27-18(12-13-22(26)27)15-19-7-6-14-34-19/h2-11,14-15H,12-13,16H2,1H3,(H,29,32)/b18-15-
• InChIKey: BJFXKDAAFRMIPE-SDXDJHTJSA-N
• XLogP: 5.31
• TPSA: 98.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.49
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The IUPAC name of [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate (CID 98560336) is [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate.

What is the SMILES notation for [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The canonical SMILES for [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is CC(=O)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2.

What is the InChIKey of [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

The InChIKey is BJFXKDAAFRMIPE-SDXDJHTJSA-N. The full InChI is InChI=1S/C28H22N2O5/c1-17(31)20-8-2-4-10-23(20)29-25(32)16-35-28(33)26-21-9-3-5-11-24(21)30-27-18(12-13-22(26)27)15-19-7-6-14-34-19/h2-11,14-15H,12-13,16H2,1H3,(H,29,32)/b18-15-.

What are the key properties of [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate?

[2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate has a molecular weight of 466.49 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-acetylanilino)-2-oxoethyl] (3Z)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is sourced from PubChem (CID 98560336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).