CAS 31570-97-5|5-hydroxy-2-quinolone|5-hydroxy-1,2-dihydroquinolin-2-one|5-Hydroxy-2(1H)-quinolinone|5-Hydroxyquinolin-2(1H)-one|5-Hydroxy-2(1H)-quinolone|5-Hydroxycarbostyril|5-Hydroxyquinolin-2(1H...

General Information

Structure

Molecular Formula

C₉H₇NO₂

Molecular Mass

161.15738

Exact Mass

161.04767847

Charge

InChI

InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5,11H,(H,10,12)

InChIKey

XOXGLLQTNQBDKL-UHFFFAOYSA-N

Canonic Smiles

O=c1ccc2c([nH]1)cccc2O

Isomeric Smiles

[nH]1c2c(ccc1=O)c(O)ccc2

Calculated Properties

JChem

LogD (pH = 7.4)

1.28

LogD (pH = 5.5)

1.29

Log P

1.29

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

9.03

Polar Surface Area

49.33

Polarizability

15.71

Molar Refractivity

47.26

LOG S

-2.23

Data Source

Names and Identifiers

IUPAC Traditional name

5-hydroxy-2-quinolone

IUPAC name

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

Synonyms

5-Hydroxy-2(1H)-quinolinone5-Hydroxyquinolin-2(1H)-one5-Hydroxy-2(1H)-quinolone5-Hydroxycarbostyril5-Hydroxyquinolin-2(1H)-oneNSC 1346525-Hydroxy-quinolin-2(1H)-one1,2-Dihydro-5-hydroxy-2-oxoquinoline5-hydroxyquinolin-2(1H)-one5-hydroxy-2-quinolone5-hydroxyquinolin-2(1H)-one

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

IntEnz Database