Home > Compound List > Compound details
601514-62-9 molecular structure
click picture or here to close

6-benzyl-1,2,5,6,7,8-hexahydro-2,6-naphthyridin-1-one

ChemBase ID: 64950
Molecular Formular: C15H16N2O
Molecular Mass: 240.30034
Monoisotopic Mass: 240.12626314
SMILES and InChIs

SMILES:
C1N(Cc2c(C1)c(=O)[nH]cc2)Cc1ccccc1
Canonical SMILES:
O=c1[nH]ccc2c1CCN(C2)Cc1ccccc1
InChI:
InChI=1S/C15H16N2O/c18-15-14-7-9-17(11-13(14)6-8-16-15)10-12-4-2-1-3-5-12/h1-6,8H,7,9-11H2,(H,16,18)
InChIKey:
RGSOMLGEDNNJIO-UHFFFAOYSA-N

Cite this record

CBID:64950 http://www.chembase.cn/molecule-64950.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-benzyl-1,2,5,6,7,8-hexahydro-2,6-naphthyridin-1-one
IUPAC Traditional name
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
Synonyms
6-Benzyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one
CAS Number
601514-62-9
MDL Number
MFCD06762738
PubChem SID
162030689
PubChem CID
22335190

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
070280 external link Add to cart Please log in.
Data Source Data ID
PubChem 22335190 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.554237  H Acceptors
H Donor LogD (pH = 5.5) -1.3862191 
LogD (pH = 7.4) 0.38528347  Log P 1.3346893 
Molar Refractivity 73.0669 cm3 Polarizability 27.707106 Å3
Polar Surface Area 32.34 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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