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

C30H24N4O2S — CID 3723253

IUPAC5-(1-ethylquinolin-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=Cc2ccccc21
InChIInChI=1S/C30H24N4O2S/c1-3-32-24-17-11-10-12-21(24)18-19-25(32)27-29(36)33(22-13-6-4-7-14-22)30(37-27)26-20(2)31-34(28(26)35)23-15-8-5-9-16-23/h4-19H,3H2,1-2H3
InChIKeyGBXJZNXMVRRIMU-UHFFFAOYSA-N
MW504.62 g/mol
LogP4.13
Rot. Bonds3

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

5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 3723253) has the molecular formula C30H24N4O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is 5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID3723253
Molecular FormulaC30H24N4O2S
Molecular Weight504.62 g/mol
Exact Mass504.16
IUPAC Name5-(1-ethylquinolin-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=Cc2ccccc21
InChIInChI=1S/C30H24N4O2S/c1-3-32-24-17-11-10-12-21(24)18-19-25(32)27-29(36)33(22-13-6-4-7-14-22)30(37-27)26-20(2)31-34(28(26)35)23-15-8-5-9-16-23/h4-19H,3H2,1-2H3
InChIKeyGBXJZNXMVRRIMU-UHFFFAOYSA-N
XLogP4.13
TPSA57.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.62
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one (CID 3723253) is 5-(1-ethylquinolin-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-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(1-ethylquinolin-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=Cc2ccccc21.
What is the InChIKey of 5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is GBXJZNXMVRRIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2S/c1-3-32-24-17-11-10-12-21(24)18-19-25(32)27-29(36)33(22-13-6-4-7-14-22)30(37-27)26-20(2)31-34(28(26)35)23-15-8-5-9-16-23/h4-19H,3H2,1-2H3.
What are the key properties of 5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one?
5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 504.62 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylquinolin-2-ylidene)-2-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 3723253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).