2-(2-hydroxyethyl)-1H-quinolin-4-one

C11H11NO2 — CID 68979789

IUPAC2-(2-hydroxyethyl)-1H-quinolin-4-one
SMILESO=c1cc(CCO)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c13-6-5-8-7-11(14)9-3-1-2-4-10(9)12-8/h1-4,7,13H,5-6H2,(H,12,14)
InChIKeyBZPNPIIRWNYVJG-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-hydroxyethyl)-1H-quinolin-4-one

2-(2-hydroxyethyl)-1H-quinolin-4-one (PubChem CID 68979789) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-1H-quinolin-4-one
PubChem CID68979789
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(2-hydroxyethyl)-1H-quinolin-4-one
SMILESO=c1cc(CCO)[nH]c2ccccc12
InChIInChI=1S/C11H11NO2/c13-6-5-8-7-11(14)9-3-1-2-4-10(9)12-8/h1-4,7,13H,5-6H2,(H,12,14)
InChIKeyBZPNPIIRWNYVJG-UHFFFAOYSA-N
XLogP1.06
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-1H-quinolin-4-one?
The IUPAC name of 2-(2-hydroxyethyl)-1H-quinolin-4-one (CID 68979789) is 2-(2-hydroxyethyl)-1H-quinolin-4-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-1H-quinolin-4-one?
The canonical SMILES for 2-(2-hydroxyethyl)-1H-quinolin-4-one is O=c1cc(CCO)[nH]c2ccccc12.
What is the InChIKey of 2-(2-hydroxyethyl)-1H-quinolin-4-one?
The InChIKey is BZPNPIIRWNYVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-6-5-8-7-11(14)9-3-1-2-4-10(9)12-8/h1-4,7,13H,5-6H2,(H,12,14).
What are the key properties of 2-(2-hydroxyethyl)-1H-quinolin-4-one?
2-(2-hydroxyethyl)-1H-quinolin-4-one has a molecular weight of 189.21 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-1H-quinolin-4-one is sourced from PubChem (CID 68979789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).