3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C18H12N2O2S — CID 135528630

IUPAC3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C18H12N2O2S/c21-13-7-5-11(6-8-13)18-20-16(10-23-18)14-9-12-3-1-2-4-15(12)19-17(14)22/h1-10,21H,(H,19,22)
InChIKeyPTAPBELLLOUDLL-UHFFFAOYSA-N
MW320.37 g/mol
LogP4.02
Rot. Bonds2

About 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 135528630) has the molecular formula C18H12N2O2S and a molecular weight of 320.37 g/mol. Its IUPAC name is 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID135528630
Molecular FormulaC18H12N2O2S
Molecular Weight320.37 g/mol
Exact Mass320.06
IUPAC Name3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(O)cc2)n1
InChIInChI=1S/C18H12N2O2S/c21-13-7-5-11(6-8-13)18-20-16(10-23-18)14-9-12-3-1-2-4-15(12)19-17(14)22/h1-10,21H,(H,19,22)
InChIKeyPTAPBELLLOUDLL-UHFFFAOYSA-N
XLogP4.02
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-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 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 135528630) is 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2ccc(O)cc2)n1.
What is the InChIKey of 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is PTAPBELLLOUDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S/c21-13-7-5-11(6-8-13)18-20-16(10-23-18)14-9-12-3-1-2-4-15(12)19-17(14)22/h1-10,21H,(H,19,22).
What are the key properties of 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 320.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135528630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).