2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

C20H18N2O3S — CID 91942260

About 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 91942260) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 91942260
• Molecular Formula: C20H18N2O3S
• Molecular Weight: 366.44 g/mol
• Exact Mass: 366.10
• IUPAC Name: 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CN1CCCc2cc(C=c3sc(=CC(=O)c4ccco4)[nH]c3=O)ccc21
• InChI: InChI=1S/C20H18N2O3S/c1-22-8-2-4-14-10-13(6-7-15(14)22)11-18-20(24)21-19(26-18)12-16(23)17-5-3-9-25-17/h3,5-7,9-12H,2,4,8H2,1H3,(H,21,24)
• InChIKey: CRTVHAFKZPOAIG-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 66.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.44
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (CID 91942260) is 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is CN1CCCc2cc(C=c3sc(=CC(=O)c4ccco4)[nH]c3=O)ccc21.

What is the InChIKey of 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is CRTVHAFKZPOAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-22-8-2-4-14-10-13(6-7-15(14)22)11-18-20(24)21-19(26-18)12-16(23)17-5-3-9-25-17/h3,5-7,9-12H,2,4,8H2,1H3,(H,21,24).

What are the key properties of 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 366.44 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 91942260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).