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

C19H16N2O2S — CID 71511716

IUPAC3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1C(=O)CSC1c1ccc2ccccc2n1
InChIInChI=1S/C19H16N2O2S/c1-23-17-9-5-4-8-16(17)21-18(22)12-24-19(21)15-11-10-13-6-2-3-7-14(13)20-15/h2-11,19H,12H2,1H3
InChIKeyMLVSGQZFPPMGMJ-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.02
Rot. Bonds3

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

3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one (PubChem CID 71511716) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
PubChem CID71511716
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one
SMILESCOc1ccccc1N1C(=O)CSC1c1ccc2ccccc2n1
InChIInChI=1S/C19H16N2O2S/c1-23-17-9-5-4-8-16(17)21-18(22)12-24-19(21)15-11-10-13-6-2-3-7-14(13)20-15/h2-11,19H,12H2,1H3
InChIKeyMLVSGQZFPPMGMJ-UHFFFAOYSA-N
XLogP4.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one (CID 71511716) is 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one is COc1ccccc1N1C(=O)CSC1c1ccc2ccccc2n1.
What is the InChIKey of 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
The InChIKey is MLVSGQZFPPMGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-17-9-5-4-8-16(17)21-18(22)12-24-19(21)15-11-10-13-6-2-3-7-14(13)20-15/h2-11,19H,12H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one?
3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-quinolin-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71511716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).