2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one

C18H13ClN2OS — CID 11099907

IUPAC2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cc3ccccc3nc2Cl)N1c1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-17-14(10-12-6-4-5-9-15(12)20-17)18-21(16(22)11-23-18)13-7-2-1-3-8-13/h1-10,18H,11H2
InChIKeyXFUXUZPQOOQLRA-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.67
Rot. Bonds2

About 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one

2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 11099907) has the molecular formula C18H13ClN2OS and a molecular weight of 340.84 g/mol. Its IUPAC name is 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one
PubChem CID11099907
Molecular FormulaC18H13ClN2OS
Molecular Weight340.84 g/mol
Exact Mass340.04
IUPAC Name2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cc3ccccc3nc2Cl)N1c1ccccc1
InChIInChI=1S/C18H13ClN2OS/c19-17-14(10-12-6-4-5-9-15(12)20-17)18-21(16(22)11-23-18)13-7-2-1-3-8-13/h1-10,18H,11H2
InChIKeyXFUXUZPQOOQLRA-UHFFFAOYSA-N
XLogP4.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

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CID 16760569
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CID 16760063
N-cyclohexyl-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2097612
N-cyclohexyl-N-ethyl-2-quinolin-2-ylsulfanylacetamide
CID 2409158
Verlukast sodium
CID 44322990
2-(3-Methyl-quinolin-2-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 653072
2-(4-Methyl-quinolin-2-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 656091
Cyclopropanecarboxylic acid (2-chloro-6-methyl-quinolin-3-ylmethyl)-thiophen-2-ylmethyl-amide
CID 1459825
1-(2-Methyl-2,3-dihydro-indol-1-yl)-2-(3-methyl-quinolin-2-ylsulfanyl)-ethanone
CID 3178379
2-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 5130018
9-[(2-oxo-2-pyrrolidin-1-ylethyl)thio]-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 6622084
2-[(7-Chloro-1,2,3,4-tetrahydroacridin-9-YL)sulfanyl]-1-(4-methylpiperidin-1-YL)ethan-1-one
CID 16000013

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one (CID 11099907) is 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one is O=C1CSC(c2cc3ccccc3nc2Cl)N1c1ccccc1.
What is the InChIKey of 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one?
The InChIKey is XFUXUZPQOOQLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2OS/c19-17-14(10-12-6-4-5-9-15(12)20-17)18-21(16(22)11-23-18)13-7-2-1-3-8-13/h1-10,18H,11H2.
What are the key properties of 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one?
2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 340.84 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-3-yl)-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 11099907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).