5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

C20H16N2O4S — CID 86613944

IUPAC5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(O)c3c2CCC(=O)N3Cc2ccccc2)S1
InChIInChI=1S/C20H16N2O4S/c23-15-8-6-13(10-16-19(25)21-20(26)27-16)14-7-9-17(24)22(18(14)15)11-12-4-2-1-3-5-12/h1-6,8,10,23H,7,9,11H2,(H,21,25,26)
InChIKeyFFAFEHWZPAMKHR-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.20
Rot. Bonds3

About 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 86613944) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID86613944
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2ccc(O)c3c2CCC(=O)N3Cc2ccccc2)S1
InChIInChI=1S/C20H16N2O4S/c23-15-8-6-13(10-16-19(25)21-20(26)27-16)14-7-9-17(24)22(18(14)15)11-12-4-2-1-3-5-12/h1-6,8,10,23H,7,9,11H2,(H,21,25,26)
InChIKeyFFAFEHWZPAMKHR-UHFFFAOYSA-N
XLogP3.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinoline-5-carbaldehyde
CID 86613945
methyl 4-[[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-8-methoxy-2-oxo-3,4-dihydroquinolin-1-yl]methyl]benzoate
CID 86613941
5-[(5-chloro-2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 3096058
5-hydroxy-8-phenyl-1-[(4-phenylphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 66596773
5-[(2-hydroxy-5-phenyldiazenylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2852002
5-[[5-(1-adamantyl)-2-hydroxyphenyl]methylidene]-3-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 73462865
(5E)-1-benzyl-5-[(4-fluorophenyl)methylidene]pyrrolidin-2-one
CID 44817312
(5Z)-5-[(1-benzyl-7-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126140767
5-[[2-chloro-4-(2-phenylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 75216603
3-benzyl-5-[(5-benzyl-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4524259
4-[[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 142911167
4-[[3-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-1,4-dimethylcarbazol-9-yl]methyl]benzoic acid
CID 72616854

Frequently Asked Questions

What is the IUPAC name of 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 86613944) is 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2ccc(O)c3c2CCC(=O)N3Cc2ccccc2)S1.
What is the InChIKey of 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FFAFEHWZPAMKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c23-15-8-6-13(10-16-19(25)21-20(26)27-16)14-7-9-17(24)22(18(14)15)11-12-4-2-1-3-5-12/h1-6,8,10,23H,7,9,11H2,(H,21,25,26).
What are the key properties of 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione?
5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 380.43 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-benzyl-8-hydroxy-2-oxo-3,4-dihydroquinolin-5-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 86613944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).