propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate

C14H15NO4 — CID 54687731

IUPACpropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H15NO4/c1-2-7-19-12(16)8-10-13(17)9-5-3-4-6-11(9)15-14(10)18/h3-6H,2,7-8H2,1H3,(H2,15,17,18)
InChIKeyGZGDKWSUKCDQKU-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.73
Rot. Bonds4

About propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate

propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (PubChem CID 54687731) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.

Molecular Properties

Compound Namepropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
PubChem CID54687731
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namepropyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate
SMILESCCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H15NO4/c1-2-7-19-12(16)8-10-13(17)9-5-3-4-6-11(9)15-14(10)18/h3-6H,2,7-8H2,1H3,(H2,15,17,18)
InChIKeyGZGDKWSUKCDQKU-UHFFFAOYSA-N
XLogP1.73
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The IUPAC name of propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate (CID 54687731) is propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate.
What is the SMILES notation for propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The canonical SMILES for propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is CCCOC(=O)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
The InChIKey is GZGDKWSUKCDQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-2-7-19-12(16)8-10-13(17)9-5-3-4-6-11(9)15-14(10)18/h3-6H,2,7-8H2,1H3,(H2,15,17,18).
What are the key properties of propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate?
propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate has a molecular weight of 261.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetate is sourced from PubChem (CID 54687731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).