2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one

C19H13Cl3N2O2S — CID 10252653

IUPAC2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc(C3SCC(=O)N3c3c(Cl)cccc3Cl)c(Cl)nc2c1
InChIInChI=1S/C19H13Cl3N2O2S/c1-26-11-6-5-10-7-12(18(22)23-15(10)8-11)19-24(16(25)9-27-19)17-13(20)3-2-4-14(17)21/h2-8,19H,9H2,1H3
InChIKeyGPBGIYPDUCJXCQ-UHFFFAOYSA-N
MW439.75 g/mol
LogP5.98
Rot. Bonds3

About 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one

2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one (PubChem CID 10252653) has the molecular formula C19H13Cl3N2O2S and a molecular weight of 439.75 g/mol. Its IUPAC name is 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
PubChem CID10252653
Molecular FormulaC19H13Cl3N2O2S
Molecular Weight439.75 g/mol
Exact Mass437.98
IUPAC Name2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc(C3SCC(=O)N3c3c(Cl)cccc3Cl)c(Cl)nc2c1
InChIInChI=1S/C19H13Cl3N2O2S/c1-26-11-6-5-10-7-12(18(22)23-15(10)8-11)19-24(16(25)9-27-19)17-13(20)3-2-4-14(17)21/h2-8,19H,9H2,1H3
InChIKeyGPBGIYPDUCJXCQ-UHFFFAOYSA-N
XLogP5.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.75
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 10692406
2-(2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 11100740
2-(2-chloro-7-methoxyquinolin-3-yl)-3-[5-hydroxy-2-[(4-methylphenyl)diazenyl]phenyl]-1,3-thiazolidin-4-one
CID 135954811
2-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 4248077
2-(2,4-dichlorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 4133047
(2S)-3-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 1274540
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
CID 11842542
(2S)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-(6-methoxynaphthalen-2-yl)-1,3-thiazolidin-4-one
CID 27566868
2-(2-fluorophenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842555
2-(2,6-dichlorophenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 71521936
2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842556
(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 27566916

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one (CID 10252653) is 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one is COc1ccc2cc(C3SCC(=O)N3c3c(Cl)cccc3Cl)c(Cl)nc2c1.
What is the InChIKey of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is GPBGIYPDUCJXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O2S/c1-26-11-6-5-10-7-12(18(22)23-15(10)8-11)19-24(16(25)9-27-19)17-13(20)3-2-4-14(17)21/h2-8,19H,9H2,1H3.
What are the key properties of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one?
2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 439.75 g/mol, XLogP of 5.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10252653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).