3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one

C15H16N2O2S — CID 4645389

IUPAC3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CSC1c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2O2S/c1-19-9-8-17-14(18)10-20-15(17)13-7-6-11-4-2-3-5-12(11)16-13/h2-7,15H,8-10H2,1H3
InChIKeyHAUJTNVRGXNWKL-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.46
Rot. Bonds4

About 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one

3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one (PubChem CID 4645389) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
PubChem CID4645389
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
SMILESCOCCN1C(=O)CSC1c1ccc2ccccc2n1
InChIInChI=1S/C15H16N2O2S/c1-19-9-8-17-14(18)10-20-15(17)13-7-6-11-4-2-3-5-12(11)16-13/h2-7,15H,8-10H2,1H3
InChIKeyHAUJTNVRGXNWKL-UHFFFAOYSA-N
XLogP2.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one (CID 4645389) is 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one is COCCN1C(=O)CSC1c1ccc2ccccc2n1.
What is the InChIKey of 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is HAUJTNVRGXNWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-19-9-8-17-14(18)10-20-15(17)13-7-6-11-4-2-3-5-12(11)16-13/h2-7,15H,8-10H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 4645389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).