4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one

C16H11N3O2S — CID 162632669

IUPAC4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(-c3ccn[nH]3)cc2c(O)c1-c1cccs1
InChIInChI=1S/C16H11N3O2S/c20-15-10-8-9(11-5-6-17-19-11)3-4-12(10)18-16(21)14(15)13-2-1-7-22-13/h1-8H,(H,17,19)(H2,18,20,21)
InChIKeyOWZAXBQAXBPNJY-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.35
Rot. Bonds2

About 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one

4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one (PubChem CID 162632669) has the molecular formula C16H11N3O2S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one
PubChem CID162632669
Molecular FormulaC16H11N3O2S
Molecular Weight309.35 g/mol
Exact Mass309.06
IUPAC Name4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(-c3ccn[nH]3)cc2c(O)c1-c1cccs1
InChIInChI=1S/C16H11N3O2S/c20-15-10-8-9(11-5-6-17-19-11)3-4-12(10)18-16(21)14(15)13-2-1-7-22-13/h1-8H,(H,17,19)(H2,18,20,21)
InChIKeyOWZAXBQAXBPNJY-UHFFFAOYSA-N
XLogP3.35
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-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 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one (CID 162632669) is 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one is O=c1[nH]c2ccc(-c3ccn[nH]3)cc2c(O)c1-c1cccs1.
What is the InChIKey of 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one?
The InChIKey is OWZAXBQAXBPNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2S/c20-15-10-8-9(11-5-6-17-19-11)3-4-12(10)18-16(21)14(15)13-2-1-7-22-13/h1-8H,(H,17,19)(H2,18,20,21).
What are the key properties of 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one?
4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one has a molecular weight of 309.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(1H-pyrazol-5-yl)-3-thiophen-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 162632669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).