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

4-{2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carbonyl}piperazin-2-one

ChemBase ID: 323582
Molecular Formular: C18H16N4O4
Molecular Mass: 352.34404
Monoisotopic Mass: 352.11715501
SMILES and InChIs

SMILES:
c1(nc(oc1)COc1c2ncccc2ccc1)C(=O)N1CC(=O)NCC1
Canonical SMILES:
O=C1NCCN(C1)C(=O)c1coc(n1)COc1cccc2c1nccc2
InChI:
InChI=1S/C18H16N4O4/c23-15-9-22(8-7-19-15)18(24)13-10-26-16(21-13)11-25-14-5-1-3-12-4-2-6-20-17(12)14/h1-6,10H,7-9,11H2,(H,19,23)
InChIKey:
CFQVPCMHQSXVCK-UHFFFAOYSA-N

Cite this record

CBID:323582 http://www.chembase.cn/molecule-323582.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carbonyl}piperazin-2-one
IUPAC Traditional name
4-{2-[(quinolin-8-yloxy)methyl]-1,3-oxazole-4-carbonyl}piperazin-2-one
Synonyms
4-({2-[(quinolin-8-yloxy)methyl]-1,3-oxazol-4-yl}carbonyl)piperazin-2-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11453116 external link Add to cart
Data Source Data ID Price
ChemBridge
11453116 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 12.748316  H Acceptors
H Donor LogD (pH = 5.5) 0.118870065 
LogD (pH = 7.4) 0.119781345  Log P 0.11979473 
Molar Refractivity 90.4258 cm3 Polarizability 35.75293 Å3
Polar Surface Area 97.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -2.78  LOG S -0.7 
Polar Surface Area 97.56 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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