[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate

C26H32N2O5 — CID 68878448

About [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate

[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate (PubChem CID 68878448) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate.

Molecular Properties

• Compound Name: [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate
• PubChem CID: 68878448
• Molecular Formula: C26H32N2O5
• Molecular Weight: 452.55 g/mol
• Exact Mass: 452.23
• IUPAC Name: [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate
• SMILES: CCc1cc2c(cc1CC)CC(NCC(OC(=O)CO)c1ccc(O)c3c1CCC(=O)N3)C2
• InChI: InChI=1S/C26H32N2O5/c1-3-15-9-17-11-19(12-18(17)10-16(15)4-2)27-13-23(33-25(32)14-29)20-5-7-22(30)26-21(20)6-8-24(31)28-26/h5,7,9-10,19,23,27,29-30H,3-4,6,8,11-14H2,1-2H3,(H,28,31)
• InChIKey: BWKFRTAEXCQMPY-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 107.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.55
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate?

The IUPAC name of [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate (CID 68878448) is [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate.

What is the SMILES notation for [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate?

The canonical SMILES for [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate is CCc1cc2c(cc1CC)CC(NCC(OC(=O)CO)c1ccc(O)c3c1CCC(=O)N3)C2.

What is the InChIKey of [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate?

The InChIKey is BWKFRTAEXCQMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-3-15-9-17-11-19(12-18(17)10-16(15)4-2)27-13-23(33-25(32)14-29)20-5-7-22(30)26-21(20)6-8-24(31)28-26/h5,7,9-10,19,23,27,29-30H,3-4,6,8,11-14H2,1-2H3,(H,28,31).

What are the key properties of [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate?

[2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate has a molecular weight of 452.55 g/mol, XLogP of 2.74, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(5,6-diethyl-2,3-dihydro-1H-inden-2-yl)amino]-1-(8-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)ethyl] 2-hydroxyacetate is sourced from PubChem (CID 68878448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).