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

C18H11ClN2OS — CID 22638638

IUPAC3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H11ClN2OS/c19-13-6-3-5-12(8-13)18-21-16(10-23-18)14-9-11-4-1-2-7-15(11)20-17(14)22/h1-10H,(H,20,22)
InChIKeyJDVSCCPZTVOURL-UHFFFAOYSA-N
MW338.82 g/mol
LogP4.97
Rot. Bonds2

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

3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (PubChem CID 22638638) has the molecular formula C18H11ClN2OS and a molecular weight of 338.82 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
PubChem CID22638638
Molecular FormulaC18H11ClN2OS
Molecular Weight338.82 g/mol
Exact Mass338.03
IUPAC Name3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1csc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H11ClN2OS/c19-13-6-3-5-12(8-13)18-21-16(10-23-18)14-9-11-4-1-2-7-15(11)20-17(14)22/h1-10H,(H,20,22)
InChIKeyJDVSCCPZTVOURL-UHFFFAOYSA-N
XLogP4.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-Amino-phenyl)-thiazol-4-yl]-1H-quinolin-2-one
CID 10149743
3-[2-(Methanesulfonylmethyl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10149755
4-Amino-6-chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10237032
3-[2-(Thiophen-3-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 10286404
3-{2-[(Benzenesulfonyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10287269
quinolin-2(1H)-one derivative, 17m
CID 10287815
3-{2-[(Benzenesulfinyl)methyl]-1,3-thiazol-4-yl}-1,2-dihydroquinolin-2-one
CID 10309171
6-Chloro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2-dihydroquinolin-2-one
CID 22638603
Ncats-SM5637
CID 139373943
3-(2-Phenyl-1,3-thiazol-4-yl)-1,2-dihydroquinolin-2-one
CID 22638512
quinolin-2(1H)-one derivative, 17o
CID 22638559
N-(3-fluoro-4-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2548953

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one (CID 22638638) is 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1csc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
The InChIKey is JDVSCCPZTVOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2OS/c19-13-6-3-5-12(8-13)18-21-16(10-23-18)14-9-11-4-1-2-7-15(11)20-17(14)22/h1-10H,(H,20,22).
What are the key properties of 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one?
3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one has a molecular weight of 338.82 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 22638638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).