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...

基本信息

化学结构

分子式

C₉H₇NO₂

分子量

161.15738

精确质量

161.04767847

电荷

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

计算属性

JChem

LogD (pH = 7.4)

1.28

LogD (pH = 5.5)

1.29

Log P

1.29

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

9.03

极化表面积

49.33

极化性

15.71

摩尔折射率

47.26

LOG S

-2.23

数据来源

名称和标识

IUPAC传统名

5-hydroxy-2-quinolone

IUPAC标准名

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

别名

5-Hydroxy-2(1H)-quinolinone5-Hydroxyquinolin-2(1H)-one5-Hydroxyquinolin-2(1H)-oneNSC 1346525-Hydroxycarbostyril5-Hydroxy-2(1H)-quinolone1,2-Dihydro-5-hydroxy-2-oxoquinoline5-Hydroxy-quinolin-2(1H)-one5-hydroxyquinolin-2(1H)-one5-hydroxyquinolin-2(1H)-one5-hydroxy-2-quinolone

名称和标识

数据登录号

MDL号

CAS号

PubChem CID

PubChem SID

SureChEMBL数据库