Home > Compound List > Compound details
28082-86-2 molecular structure
click picture or here to close

3,6,7-trimethyl-1,2-dihydroquinoxalin-2-one

ChemBase ID: 309600
Molecular Formular: C11H12N2O
Molecular Mass: 188.22578
Monoisotopic Mass: 188.09496301
SMILES and InChIs

SMILES:
n1c2c([nH]c(=O)c1C)cc(c(c2)C)C
Canonical SMILES:
Cc1cc2[nH]c(=O)c(nc2cc1C)C
InChI:
InChI=1S/C11H12N2O/c1-6-4-9-10(5-7(6)2)13-11(14)8(3)12-9/h4-5H,1-3H3,(H,13,14)
InChIKey:
RYSAKTAGNQULLG-UHFFFAOYSA-N

Cite this record

CBID:309600 http://www.chembase.cn/molecule-309600.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3,6,7-trimethyl-1,2-dihydroquinoxalin-2-one
IUPAC Traditional name
3,6,7-trimethyl-1H-quinoxalin-2-one
Synonyms
3,6,7-trimethyl-2(1H)-quinoxalinone
CAS Number
28082-86-2
MDL Number
MFCD00135489

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4043049 external link Add to cart
Data Source Data ID Price
ChemBridge
4043049 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2557685  LogD (pH = 7.4) 2.2557778 
Log P 2.255798  Molar Refractivity 59.037 cm3
Polarizability 20.552359 Å3 Polar Surface Area 41.46 Å2

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