CAS 54197-66-9|6-hydroxy-3,4-dihydro-1H-quinolin-2-one|6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline|3,4-Dihydro-6-hydroxyquinolin-2(1H)-one|6-hydroxy-1,2,3,4-tetrahydroquinolin-2-one|6-hydroxy-3,4-di...

General Information

Structure

Molecular Formula

C₉H₉NO₂

Molecular Mass

163.17326

Exact Mass

163.06332853

Charge

InChI

InChI=1S/C9H9NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10-8/h2-3,5,11H,1,4H2,(H,10,12)

InChIKey

HOSGXJWQVBHGLT-UHFFFAOYSA-N

Canonic Smiles

O=C1CCc2c(N1)ccc(c2)O

Isomeric Smiles

N1c2ccc(cc2CCC1=O)O

Calculated Properties

JChem

Acid pKa

9.402344

H Acceptors

H Donor

LogD (pH = 5.5)

1.2129995

LogD (pH = 7.4)

1.2087808

Log P

1.2130536

Molar Refractivity

46.1668

Polarizability

16.928665

Polar Surface Area

49.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

6-hydroxy-3,4-dihydro-1H-quinolin-2-one

Synonyms

6-Hydroxy-2-oxo-1,2,3,4-tetrahydroquinoline3,4-Dihydro-6-hydroxyquinolin-2(1H)-one6-hydroxy-3,4-dihydroquinolin-2(1H)-one6-羟基-1,2,3,4-四氢-2-喹啉酮6-Hydroxy-1,2,3,4-tetrahydro-2-quinolinone6-羟基-3,4-二氢-2(1H)-喹诺酮6-羟基-3,4-二氢喹啉酮6-Hydroxy-3,4-dihydro-2(1H)-quinolinone6-Hydroxy-3,4-dihydrocarbstyril6-Hydroxy-3,4-dihydro-1H-quinoline-2-one3,4-Dihydro-6-hydroxycarbostyril3,4-Dihydro-6-hydroxy-carbostyril3,4-Dihydro-6-hydroxy-2(1H)-quinolinone

IUPAC name

6-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID