3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

C17H11N3O2S — CID 135443299

IUPAC3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)c[nH]1
InChIInChI=1S/C17H11N3O2S/c21-15-6-5-11(8-18-15)17-20-14(9-23-17)12-7-10-3-1-2-4-13(10)19-16(12)22/h1-9H,(H,18,21)(H,19,22)
InChIKeyXADXQGVHDABCFJ-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.01
Rot. Bonds2

About 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one

3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 135443299) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID135443299
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)c[nH]1
InChIInChI=1S/C17H11N3O2S/c21-15-6-5-11(8-18-15)17-20-14(9-23-17)12-7-10-3-1-2-4-13(10)19-16(12)22/h1-9H,(H,18,21)(H,19,22)
InChIKeyXADXQGVHDABCFJ-UHFFFAOYSA-N
XLogP3.01
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 135443299) is 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)c[nH]1.
What is the InChIKey of 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is XADXQGVHDABCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-15-6-5-11(8-18-15)17-20-14(9-23-17)12-7-10-3-1-2-4-13(10)19-16(12)22/h1-9H,(H,18,21)(H,19,22).
What are the key properties of 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 321.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6-oxo-1H-pyridin-3-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135443299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).