4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

C17H11N3O2S — CID 54707814

IUPAC4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H11N3O2S/c21-15-11-3-1-2-4-12(11)19-16(22)14(15)13-9-23-17(20-13)10-5-7-18-8-6-10/h1-9H,(H2,19,21,22)
InChIKeyCVMAHPSTCONZBL-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.42
Rot. Bonds2

About 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one

4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (PubChem CID 54707814) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
PubChem CID54707814
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2c(O)c1-c1csc(-c2ccncc2)n1
InChIInChI=1S/C17H11N3O2S/c21-15-11-3-1-2-4-12(11)19-16(22)14(15)13-9-23-17(20-13)10-5-7-18-8-6-10/h1-9H,(H2,19,21,22)
InChIKeyCVMAHPSTCONZBL-UHFFFAOYSA-N
XLogP3.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-7-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 10126343
4-Amino-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10171950
4-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10193998
3-{2-[(Pyridine-2-sulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10215918
3-[2-(Pyridin-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10236551
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308461
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10308615
Methyl 2-oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylate
CID 24768284
4-Methyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638519
2-phenylethyl 6-oxo-2-propan-2-yl-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10366241
ethyl 6-oxo-2-(phenylmethoxymethyl)-5-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-pyridine-3-carboxylate
CID 10366345
2-Oxo-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinoline-5-carboxylic acid
CID 22638539

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one (CID 54707814) is 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2c(O)c1-c1csc(-c2ccncc2)n1.
What is the InChIKey of 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
The InChIKey is CVMAHPSTCONZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-15-11-3-1-2-4-12(11)19-16(22)14(15)13-9-23-17(20-13)10-5-7-18-8-6-10/h1-9H,(H2,19,21,22).
What are the key properties of 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one?
4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one has a molecular weight of 321.36 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinolin-2-one is sourced from PubChem (CID 54707814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).