5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione

C15H14N2O4S — CID 87066059

IUPAC5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(C)C2SC(=O)NC2=O)c2ccc(=O)[nH]c12
InChIInChI=1S/C15H14N2O4S/c1-7(13-14(19)17-15(20)22-13)8-3-5-10(21-2)12-9(8)4-6-11(18)16-12/h3-7,13H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyOQVJDSFFLSIURM-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.99
Rot. Bonds3

About 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione

5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 87066059) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID87066059
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(C(C)C2SC(=O)NC2=O)c2ccc(=O)[nH]c12
InChIInChI=1S/C15H14N2O4S/c1-7(13-14(19)17-15(20)22-13)8-3-5-10(21-2)12-9(8)4-6-11(18)16-12/h3-7,13H,1-2H3,(H,16,18)(H,17,19,20)
InChIKeyOQVJDSFFLSIURM-UHFFFAOYSA-N
XLogP1.99
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

diethyl 2-chloro-2-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]propanedioate
CID 66597042
5-(1-phenylethyl)-1,3-thiazolidine-2,4-dione
CID 101057113
5-[1-hydroxy-2-(4-phenylpiperidin-1-yl)ethyl]-8-methoxy-1H-quinolin-2-one
CID 70630676
2-amino-3-(8-methoxy-2-oxo-1H-quinolin-5-yl)propanoic acid
CID 13342139
7,8-dimethoxy-1H-quinolin-2-one
CID 101073674
5-methoxy-6-methyl-1H-pyridin-2-one
CID 22754801
5-[1-(8-methoxy-2-oxo-3,4-dihydro-1H-quinolin-5-yl)-2-piperidin-4-ylethyl]-1,3-thiazolidine-2,4-dione
CID 87066095
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
5-[(1R)-2-[(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)amino]-1-hydroxyethyl]-8-phenylmethoxy-1H-quinolin-2-one
CID 11386205
5-[(2R)-1-aminopropan-2-yl]-8-phenylmethoxy-1H-quinolin-2-one
CID 164875331
8-bromo-7-methoxy-1H-quinolin-2-one
CID 169499503
8-hydroxy-5-[1-hydroxy-2-[4-(2-methoxyphenyl)butan-2-ylamino]ethyl]-1H-quinolin-2-one
CID 164615126

Frequently Asked Questions

What is the IUPAC name of 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione (CID 87066059) is 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione is COc1ccc(C(C)C2SC(=O)NC2=O)c2ccc(=O)[nH]c12.
What is the InChIKey of 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is OQVJDSFFLSIURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-7(13-14(19)17-15(20)22-13)8-3-5-10(21-2)12-9(8)4-6-11(18)16-12/h3-7,13H,1-2H3,(H,16,18)(H,17,19,20).
What are the key properties of 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione?
5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 318.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(8-methoxy-2-oxo-1H-quinolin-5-yl)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87066059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).