Home > Compound List > Compound details
1150618-22-6 molecular structure
click picture or here to close

4-hydroxyquinoline-7-carboxylic acid

ChemBase ID: 289421
Molecular Formular: C10H7NO3
Molecular Mass: 189.16748
Monoisotopic Mass: 189.04259309
SMILES and InChIs

SMILES:
O=C(c1ccc2c(O)ccnc2c1)O
Canonical SMILES:
OC(=O)c1ccc2c(c1)nccc2O
InChI:
InChI=1S/C10H7NO3/c12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9/h1-5H,(H,11,12)(H,13,14)
InChIKey:
QNDMXIULYGYMJK-UHFFFAOYSA-N

Cite this record

CBID:289421 http://www.chembase.cn/molecule-289421.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-hydroxyquinoline-7-carboxylic acid
IUPAC Traditional name
4-hydroxyquinoline-7-carboxylic acid
Synonyms
4-Hydroxyquinoline-7-carboxylic acid
CAS Number
1150618-22-6
PubChem SID
180674952
PubChem CID
40152029

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 40152029 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.832317  H Acceptors
H Donor LogD (pH = 5.5) -0.4010455 
LogD (pH = 7.4) -1.853614  Log P 1.484918 
Molar Refractivity 49.2164 cm3 Polarizability 19.870455 Å3
Polar Surface Area 70.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle