ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate

C16H19NO4 — CID 54687406

IUPACethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate
SMILESCCCn1c(=O)c(CC(=O)OCC)c(O)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-3-9-17-13-8-6-5-7-11(13)15(19)12(16(17)20)10-14(18)21-4-2/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyNWLKBIZNNRRAGM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate

ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate (PubChem CID 54687406) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate
PubChem CID54687406
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate
SMILESCCCn1c(=O)c(CC(=O)OCC)c(O)c2ccccc21
InChIInChI=1S/C16H19NO4/c1-3-9-17-13-8-6-5-7-11(13)15(19)12(16(17)20)10-14(18)21-4-2/h5-8,19H,3-4,9-10H2,1-2H3
InChIKeyNWLKBIZNNRRAGM-UHFFFAOYSA-N
XLogP2.22
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate (CID 54687406) is ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate is CCCn1c(=O)c(CC(=O)OCC)c(O)c2ccccc21.
What is the InChIKey of ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate?
The InChIKey is NWLKBIZNNRRAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-9-17-13-8-6-5-7-11(13)15(19)12(16(17)20)10-14(18)21-4-2/h5-8,19H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate?
ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate has a molecular weight of 289.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-2-oxo-1-propylquinolin-3-yl)acetate is sourced from PubChem (CID 54687406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).