2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one

C19H14N4OS — CID 10736357

IUPAC2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1n[nH]c2nc3ccccc3cc12
InChIInChI=1S/C19H14N4OS/c24-16-11-25-19(12-6-2-1-3-7-12)23(16)18-14-10-13-8-4-5-9-15(13)20-17(14)21-22-18/h1-10,19H,11H2,(H,20,21,22)
InChIKeyYSMVCCXNXKTIBJ-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.89
Rot. Bonds2

About 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one

2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one (PubChem CID 10736357) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one
PubChem CID10736357
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2)N1c1n[nH]c2nc3ccccc3cc12
InChIInChI=1S/C19H14N4OS/c24-16-11-25-19(12-6-2-1-3-7-12)23(16)18-14-10-13-8-4-5-9-15(13)20-17(14)21-22-18/h1-10,19H,11H2,(H,20,21,22)
InChIKeyYSMVCCXNXKTIBJ-UHFFFAOYSA-N
XLogP3.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-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

Related Compounds

(2S)-3-[4-[(2S)-4-oxo-2-phenyl-1,3-thiazolidin-3-yl]phenyl]-2-phenyl-1,3-thiazolidin-4-one
CID 1041463
3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-phenyl-1,3-thiazolidin-4-one
CID 46934279
2-phenyl-3-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731887
3-(1,3-benzothiazol-2-yl)-2-(4-bromophenyl)-1,3-thiazolidin-4-one
CID 3332829
3-(2,4-difluorophenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 5129446
(2S)-3-(4-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 6935175
(2S)-3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 95402321
2-(4-methoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 2839840
3-(4-ethylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 53497781
3-(1,2-dihydroacenaphthylen-5-yl)-2-phenyl-1,3-thiazolidin-4-one
CID 71409333
(2S)-3-(2-phenoxyphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 27566922
3-(4-morpholin-4-ylphenyl)-2-phenyl-1,3-thiazolidin-4-one
CID 10337318

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one (CID 10736357) is 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2)N1c1n[nH]c2nc3ccccc3cc12.
What is the InChIKey of 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is YSMVCCXNXKTIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c24-16-11-25-19(12-6-2-1-3-7-12)23(16)18-14-10-13-8-4-5-9-15(13)20-17(14)21-22-18/h1-10,19H,11H2,(H,20,21,22).
What are the key properties of 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one?
2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 346.42 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(1H-pyrazolo[3,4-b]quinolin-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10736357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).