Home > Compound List > Compound details
MFCD00798377 molecular structure
click picture or here to close

3-phenyl-1,2-dihydroquinoxalin-2-one

ChemBase ID: 92972
Molecular Formular: C14H10N2O
Molecular Mass: 222.242
Monoisotopic Mass: 222.07931295
SMILES and InChIs

SMILES:
n1c(c2ccccc2)c(=O)[nH]c2c1cccc2
Canonical SMILES:
O=c1[nH]c2ccccc2nc1c1ccccc1
InChI:
InChI=1S/C14H10N2O/c17-14-13(10-6-2-1-3-7-10)15-11-8-4-5-9-12(11)16-14/h1-9H,(H,16,17)
InChIKey:
ZBBQSGVRBQKLLE-UHFFFAOYSA-N

Cite this record

CBID:92972 http://www.chembase.cn/molecule-92972.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenyl-1,2-dihydroquinoxalin-2-one
IUPAC Traditional name
3-phenyl-1H-quinoxalin-2-one
Synonyms
3-Phenylquinoxalin-2-(1H)-one
MDL Number
MFCD00798377
PubChem SID
162079670
PubChem CID
346902

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR9871 external link Add to cart Please log in.
Data Source Data ID
PubChem 346902 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.358582  H Acceptors
H Donor LogD (pH = 5.5) 2.8857348 
LogD (pH = 7.4) 2.88569  Log P 2.8857355 
Molar Refractivity 69.2206 cm3 Polarizability 24.765942 Å3
Polar Surface Area 41.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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