CAS 72-80-0|5,7-Dichloro-8-hydroxy-2-methylquinoline|5,7-Dichloro-8-hydroxyquinaldine|sterosan|5,7-dichloro-2-methylquinolin-8-ol|Chlorquinaldol|5,7-Dichloro-2-methylquinolin-8-ol|5,7-Dichloro-8-qui...

General Information

Structure

Molecular Formula

C₁₀H₇Cl₂NO

Molecular Mass

228.07468

Exact Mass

226.99046921

Charge

InChI

InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2-4,14H,1H3

InChIKey

GPTXWRGISTZRIO-UHFFFAOYSA-N

Canonic Smiles

Cc1ccc2c(n1)c(O)c(cc2Cl)Cl

Isomeric Smiles

n1c(ccc2c(cc(c(c12)O)Cl)Cl)C

Calculated Properties

JChem

Acid pKa

6.9858327

H Acceptors

H Donor

LogD (pH = 5.5)

3.1179976

LogD (pH = 7.4)

2.5990152

Log P

3.1667948

Molar Refractivity

56.1613

Polarizability

23.078865

Polar Surface Area

33.12

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5,7-Dichloro-8-hydroxy-2-methylquinoline5,7-Dichloro-8-hydroxyquinaldineChlorquinaldol5,7-Dichloro-2-methylquinolin-8-ol5,7-Dichloro-8-quinaldinol氯喹那多5,7-二氯-8-羟基喹哪啶5,7-Dichloro-8-hydroxy-2-methylquinolineChlorquinaldolBCM5,7-Dichloro-2-methyl-8-quinolinol5,7-二氯-8-羟基-2-甲基喹啉5,7-二氯-2-甲基-8-羟基喹啉

IUPAC Traditional name

sterosan chlorquinaldol

IUPAC name

5,7-dichloro-2-methylquinolin-8-ol

Names and Identifiers

Registration numbers

MDL Number

MFCD00023984

CAS Number

72-80-0

ATC CODE

R02AA11D08AH02P01AA04G01AC03