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

C20H17ClN2O3S — CID 10692406

IUPAC2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc(C3SCC(=O)N3c3ccccc3OC)c(Cl)nc2c1
InChIInChI=1S/C20H17ClN2O3S/c1-25-13-8-7-12-9-14(19(21)22-15(12)10-13)20-23(18(24)11-27-20)16-5-3-4-6-17(16)26-2/h3-10,20H,11H2,1-2H3
InChIKeyWTZUCVNOTLAJKM-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.68
Rot. Bonds4

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

2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 10692406) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID10692406
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc2cc(C3SCC(=O)N3c3ccccc3OC)c(Cl)nc2c1
InChIInChI=1S/C20H17ClN2O3S/c1-25-13-8-7-12-9-14(19(21)22-15(12)10-13)20-23(18(24)11-27-20)16-5-3-4-6-17(16)26-2/h3-10,20H,11H2,1-2H3
InChIKeyWTZUCVNOTLAJKM-UHFFFAOYSA-N
XLogP4.68
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
CID 10252653
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
(2S)-2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 27566916
2-(2-ethoxyphenyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazolidin-4-one
CID 11842556
3-(2,4-dimethoxyphenyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 4054923
2-[3-(bromomethyl)phenyl]-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 71511614
2,4-dichloro-N-[2-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126401
2-(4-aminophenyl)-3-(2,5-dimethoxyphenyl)-1,3-thiazolidin-4-one
CID 42803990
2-chloro-N-[3-[(2S)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
CID 93126881
N-[3-[(2R)-3-(2-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methoxybenzamide
CID 93126288
N-[2-[(2R)-3-(2,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-methylbenzamide
CID 93127988

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one (CID 10692406) is 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc2cc(C3SCC(=O)N3c3ccccc3OC)c(Cl)nc2c1.
What is the InChIKey of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is WTZUCVNOTLAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-25-13-8-7-12-9-14(19(21)22-15(12)10-13)20-23(18(24)11-27-20)16-5-3-4-6-17(16)26-2/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one?
2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 400.89 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-methoxyquinolin-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 10692406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).