CAS 62978-73-8|5-acetyl-8-hydroxy-1,2-dihydroquinolin-2-one|5-Acetyl-8-hydroxyquinolin-2(1H)-one|1-(1,2-Dihydro-8-hydroxy-2-oxoquinolin-5-yl)ethan-1-one|5-acetyl-8-hydroxy-1H-quinolin-2-one|5-Acetyl...

General Information

Structure

Molecular Formula

C₁₁H₉NO₃

Molecular Mass

203.19406

Exact Mass

203.05824315

Charge

InChI

InChI=1S/C11H9NO3/c1-6(13)7-2-4-9(14)11-8(7)3-5-10(15)12-11/h2-5,14H,1H3,(H,12,15)

InChIKey

PJVZAXRWCFBQFH-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc(c2c1ccc(=O)[nH]2)O

Isomeric Smiles

[nH]1c2c(ccc(c2ccc1=O)C(=O)C)O

Calculated Properties

JChem

Acid pKa

7.035948

H Acceptors

H Donor

LogD (pH = 5.5)

0.8388568

LogD (pH = 7.4)

0.33852085

Log P

0.85122454

Molar Refractivity

57.6629

Polarizability

20.511726

Polar Surface Area

66.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

5-acetyl-8-hydroxy-1,2-dihydroquinolin-2-one

Synonyms

5-Acetyl-8-hydroxyquinolin-2(1H)-one1-(1,2-Dihydro-8-hydroxy-2-oxoquinolin-5-yl)ethan-1-one5-Acetyl-1,2-dihydro-8-hydroxy-2-oxoquinoline5-acetyl-8-hydroxy-1,2-dihydroquinolin-2-one5-Acetyl-8-hydroxycarbostyril5-Acetyl-8-hydroxy-1H-quinolin-2-one5-Acetylquinoline-2,8-diol5-Acetyl-8-hydroxy-2(1H)-quinolinone

IUPAC Traditional name

5-acetyl-8-hydroxy-1H-quinolin-2-one

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID