Home > Compound List > Compound details
MFCD00665826 molecular structure
click picture or here to close

2-(pyridin-4-yl)quinazolin-4-ol

ChemBase ID: 92830
Molecular Formular: C13H9N3O
Molecular Mass: 223.23006
Monoisotopic Mass: 223.07456192
SMILES and InChIs

SMILES:
n1c(c2c(nc1c1ccncc1)cccc2)O
Canonical SMILES:
Oc1nc(nc2c1cccc2)c1ccncc1
InChI:
InChI=1S/C13H9N3O/c17-13-10-3-1-2-4-11(10)15-12(16-13)9-5-7-14-8-6-9/h1-8H,(H,15,16,17)
InChIKey:
QYVWMIMELRGQGM-UHFFFAOYSA-N

Cite this record

CBID:92830 http://www.chembase.cn/molecule-92830.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(pyridin-4-yl)quinazolin-4-ol
IUPAC Traditional name
2-(pyridin-4-yl)quinazolin-4-ol
Synonyms
4-Hydroxy-2-(pyridin-4-yl)quinazoline
2-(pyridin-4-yl)quinazolin-4-ol
MDL Number
MFCD00665826
PubChem SID
162079528
PubChem CID
722911

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 722911 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.695111  H Acceptors
H Donor LogD (pH = 5.5) 2.8969097 
LogD (pH = 7.4) 2.8991716  Log P 2.8992028 
Molar Refractivity 74.3491 cm3 Polarizability 26.078815 Å3
Polar Surface Area 58.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
1.034 expand Show data source
Storage Warning
Irritant expand Show data source
Purity
95% 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