5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione

C19H16N2O3S — CID 58026715

IUPAC5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc3c2CCC(=O)N3c2ccccc2)S1
InChIInChI=1S/C19H16N2O3S/c22-17-10-9-14-12(11-16-18(23)20-19(24)25-16)5-4-8-15(14)21(17)13-6-2-1-3-7-13/h1-8,16H,9-11H2,(H,20,23,24)
InChIKeyYISFMQUPFMQQCV-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.19
Rot. Bonds3

About 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione

5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 58026715) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID58026715
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2cccc3c2CCC(=O)N3c2ccccc2)S1
InChIInChI=1S/C19H16N2O3S/c22-17-10-9-14-12(11-16-18(23)20-19(24)25-16)5-4-8-15(14)21(17)13-6-2-1-3-7-13/h1-8,16H,9-11H2,(H,20,23,24)
InChIKeyYISFMQUPFMQQCV-UHFFFAOYSA-N
XLogP3.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione (CID 58026715) is 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2cccc3c2CCC(=O)N3c2ccccc2)S1.
What is the InChIKey of 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is YISFMQUPFMQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-17-10-9-14-12(11-16-18(23)20-19(24)25-16)5-4-8-15(14)21(17)13-6-2-1-3-7-13/h1-8,16H,9-11H2,(H,20,23,24).
What are the key properties of 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 352.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1-phenyl-3,4-dihydroquinolin-5-yl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 58026715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).