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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Related Compounds

3-[2-(4-Hydroxyphenyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 135528630
N-(2-ethoxyphenyl)-2-{2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl}acetamide
CID 16015502
N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-
CID 3068075
2-chloro-N-(4-methoxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 850702
N-(4-methoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 891670
N-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472598
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472610
N-(3-methoxyphenyl)-2-[5-(4-methylphenyl)-2-phenyl-1,3-thiazol-4-yl]acetamide
CID 2533231

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).