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

C19H14N2O2S — CID 22638602

IUPAC3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESCOc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1
InChIInChI=1S/C19H14N2O2S/c1-23-14-8-6-12(7-9-14)19-21-17(11-24-19)15-10-13-4-2-3-5-16(13)20-18(15)22/h2-11H,1H3,(H,20,22)
InChIKeyPQRYISMMBVHKKJ-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.33
Rot. Bonds3

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

3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 22638602) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID22638602
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESCOc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1
InChIInChI=1S/C19H14N2O2S/c1-23-14-8-6-12(7-9-14)19-21-17(11-24-19)15-10-13-4-2-3-5-16(13)20-18(15)22/h2-11H,1H3,(H,20,22)
InChIKeyPQRYISMMBVHKKJ-UHFFFAOYSA-N
XLogP4.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 22638602) is 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is COc1ccc(-c2nc(-c3cc4ccccc4[nH]c3=O)cs2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is PQRYISMMBVHKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-23-14-8-6-12(7-9-14)19-21-17(11-24-19)15-10-13-4-2-3-5-16(13)20-18(15)22/h2-11H,1H3,(H,20,22).
What are the key properties of 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 334.40 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22638602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).