Home > Compound List > Compound details
219846-31-8 molecular structure
click picture or here to close

5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-dihydro-1,6-naphthyridin-2-one

ChemBase ID: 129228
Molecular Formular: C18H14N4O3
Molecular Mass: 334.32876
Monoisotopic Mass: 334.10659033
SMILES and InChIs

SMILES:
COc1cccc(c1)c1nccc2[nH]c(=O)c(cc12)c1nc(C)on1
Canonical SMILES:
COc1cccc(c1)c1nccc2c1cc(c1noc(n1)C)c(=O)[nH]2
InChI:
InChI=1S/C18H14N4O3/c1-10-20-17(22-25-10)14-9-13-15(21-18(14)23)6-7-19-16(13)11-4-3-5-12(8-11)24-2/h3-9H,1-2H3,(H,21,23)
InChIKey:
JQOFKKWHXGQABB-UHFFFAOYSA-N

Cite this record

CBID:129228 http://www.chembase.cn/molecule-129228.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)-1,2-dihydro-1,6-naphthyridin-2-one
IUPAC Traditional name
radequinil
Synonyms
Radequinil
CAS Number
219846-31-8
PubChem SID
162223525
PubChem CID
9862502
22714308
Chemspider ID
11584471
Wikipedia Title
Radequinil

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.445987  H Acceptors
H Donor LogD (pH = 5.5) 2.818786 
LogD (pH = 7.4) 2.895106  Log P 2.8961816 
Molar Refractivity 93.5195 cm3 Polarizability 35.259117 Å3
Polar Surface Area 90.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

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