1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one

C17H20N2O2S — CID 95772998

IUPAC1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one
SMILESCCC[C@H]1SCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C17H20N2O2S/c1-2-5-17-19(10-11-22-17)16(21)12-18-9-8-15(20)13-6-3-4-7-14(13)18/h3-4,6-9,17H,2,5,10-12H2,1H3/t17-/m1/s1
InChIKeyVRCGYNTZOZHAGC-QGZVFWFLSA-N
MW316.43 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one

1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one (PubChem CID 95772998) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one
PubChem CID95772998
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one
SMILESCCC[C@H]1SCCN1C(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C17H20N2O2S/c1-2-5-17-19(10-11-22-17)16(21)12-18-9-8-15(20)13-6-3-4-7-14(13)18/h3-4,6-9,17H,2,5,10-12H2,1H3/t17-/m1/s1
InChIKeyVRCGYNTZOZHAGC-QGZVFWFLSA-N
XLogP2.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one?
The IUPAC name of 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one (CID 95772998) is 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one?
The canonical SMILES for 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one is CCC[C@H]1SCCN1C(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one?
The InChIKey is VRCGYNTZOZHAGC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-2-5-17-19(10-11-22-17)16(21)12-18-9-8-15(20)13-6-3-4-7-14(13)18/h3-4,6-9,17H,2,5,10-12H2,1H3/t17-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one?
1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one has a molecular weight of 316.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(2R)-2-propyl-1,3-thiazolidin-3-yl]ethyl]quinolin-4-one is sourced from PubChem (CID 95772998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).