Home > Compound List > Compound details
4382-63-2 molecular structure
click picture or here to close

(2E)-1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one

ChemBase ID: 313220
Molecular Formular: C17H12N2O
Molecular Mass: 260.28998
Monoisotopic Mass: 260.09496301
SMILES and InChIs

SMILES:
c1nccc(c1)C(=O)/C=C/c1ccc2c(n1)cccc2
Canonical SMILES:
O=C(c1ccncc1)/C=C/c1ccc2c(n1)cccc2
InChI:
InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+
InChIKey:
UJJUKZPBUMCSJZ-BQYQJAHWSA-N

Cite this record

CBID:313220 http://www.chembase.cn/molecule-313220.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2E)-1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one
IUPAC Traditional name
(2E)-1-(pyridin-4-yl)-3-(quinolin-2-yl)prop-2-en-1-one
Synonyms
PFK-015
PFK15
CAS Number
4382-63-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S7289 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
S7289 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.435268  H Acceptors
H Donor LogD (pH = 5.5) 3.0519552 
LogD (pH = 7.4) 3.0638158  Log P 3.0639687 
Molar Refractivity 78.1943 cm3 Polarizability 31.121172 Å3
Polar Surface Area 42.85 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Others expand Show data source
Salt Data
Free Base 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