5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one

C31H26N4O2S — CID 3725448

IUPAC5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
SMILESCCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21
InChIInChI=1S/C31H26N4O2S/c1-4-33-25-17-15-20(2)19-22(25)16-18-26(33)28-30(37)34(23-11-7-5-8-12-23)31(38-28)27-21(3)32-35(29(27)36)24-13-9-6-10-14-24/h5-19H,4H2,1-3H3
InChIKeyHQMQGBLDHYRIIX-UHFFFAOYSA-N
MW518.64 g/mol
LogP4.44
Rot. Bonds3

About 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one

5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 3725448) has the molecular formula C31H26N4O2S and a molecular weight of 518.64 g/mol. Its IUPAC name is 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID3725448
Molecular FormulaC31H26N4O2S
Molecular Weight518.64 g/mol
Exact Mass518.18
IUPAC Name5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
SMILESCCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21
InChIInChI=1S/C31H26N4O2S/c1-4-33-25-17-15-20(2)19-22(25)16-18-26(33)28-30(37)34(23-11-7-5-8-12-23)31(38-28)27-21(3)32-35(29(27)36)24-13-9-6-10-14-24/h5-19H,4H2,1-3H3
InChIKeyHQMQGBLDHYRIIX-UHFFFAOYSA-N
XLogP4.44
TPSA57.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.64
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

Analyze 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one (CID 3725448) is 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one is CCN1C(=c2sc(=C3C(=O)N(c4ccccc4)N=C3C)n(-c3ccccc3)c2=O)C=Cc2cc(C)ccc21.
What is the InChIKey of 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is HQMQGBLDHYRIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2S/c1-4-33-25-17-15-20(2)19-22(25)16-18-26(33)28-30(37)34(23-11-7-5-8-12-23)31(38-28)27-21(3)32-35(29(27)36)24-13-9-6-10-14-24/h5-19H,4H2,1-3H3.
What are the key properties of 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 518.64 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-6-methylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3725448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).