[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate

C24H19N3O4S — CID 55488798

About [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate

[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate (PubChem CID 55488798) has the molecular formula C24H19N3O4S and a molecular weight of 445.50 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate.

Molecular Properties

• Compound Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate
• PubChem CID: 55488798
• Molecular Formula: C24H19N3O4S
• Molecular Weight: 445.50 g/mol
• Exact Mass: 445.11
• IUPAC Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate
• SMILES: O=C(Cc1cccc2cccnc12)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1
• InChI: InChI=1S/C24H19N3O4S/c28-22(15-31-23(29)13-17-6-1-5-16-7-2-10-25-24(16)17)27-19(20-8-3-11-30-20)14-18(26-27)21-9-4-12-32-21/h1-12,19H,13-15H2
• InChIKey: AAYPHWBXZLBWMP-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 85.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.50
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?

The IUPAC name of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate (CID 55488798) is [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate.

What is the SMILES notation for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?

The canonical SMILES for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate is O=C(Cc1cccc2cccnc12)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1.

What is the InChIKey of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?

The InChIKey is AAYPHWBXZLBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4S/c28-22(15-31-23(29)13-17-6-1-5-16-7-2-10-25-24(16)17)27-19(20-8-3-11-30-20)14-18(26-27)21-9-4-12-32-21/h1-12,19H,13-15H2.

What are the key properties of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate?

[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate has a molecular weight of 445.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate is sourced from PubChem (CID 55488798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).