2-(8-hydroxyquinolin-5-yl)ethyl acetate

C13H13NO3 — CID 90678815

IUPAC2-(8-hydroxyquinolin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1ccc(O)c2ncccc12
InChIInChI=1S/C13H13NO3/c1-9(15)17-8-6-10-4-5-12(16)13-11(10)3-2-7-14-13/h2-5,7,16H,6,8H2,1H3
InChIKeyNEZOWNWJUKFIGM-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.05
Rot. Bonds3

About 2-(8-hydroxyquinolin-5-yl)ethyl acetate

2-(8-hydroxyquinolin-5-yl)ethyl acetate (PubChem CID 90678815) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(8-hydroxyquinolin-5-yl)ethyl acetate.

Molecular Properties

Compound Name2-(8-hydroxyquinolin-5-yl)ethyl acetate
PubChem CID90678815
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(8-hydroxyquinolin-5-yl)ethyl acetate
SMILESCC(=O)OCCc1ccc(O)c2ncccc12
InChIInChI=1S/C13H13NO3/c1-9(15)17-8-6-10-4-5-12(16)13-11(10)3-2-7-14-13/h2-5,7,16H,6,8H2,1H3
InChIKeyNEZOWNWJUKFIGM-UHFFFAOYSA-N
XLogP2.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxyquinolin-5-yl)ethyl acetate?
The IUPAC name of 2-(8-hydroxyquinolin-5-yl)ethyl acetate (CID 90678815) is 2-(8-hydroxyquinolin-5-yl)ethyl acetate.
What is the SMILES notation for 2-(8-hydroxyquinolin-5-yl)ethyl acetate?
The canonical SMILES for 2-(8-hydroxyquinolin-5-yl)ethyl acetate is CC(=O)OCCc1ccc(O)c2ncccc12.
What is the InChIKey of 2-(8-hydroxyquinolin-5-yl)ethyl acetate?
The InChIKey is NEZOWNWJUKFIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-9(15)17-8-6-10-4-5-12(16)13-11(10)3-2-7-14-13/h2-5,7,16H,6,8H2,1H3.
What are the key properties of 2-(8-hydroxyquinolin-5-yl)ethyl acetate?
2-(8-hydroxyquinolin-5-yl)ethyl acetate has a molecular weight of 231.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxyquinolin-5-yl)ethyl acetate is sourced from PubChem (CID 90678815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).