Home > Compound List > Compound details
461036-88-4 molecular structure
click picture or here to close

4,6-dichloro-2-(4-fluorophenyl)quinazoline

ChemBase ID: 812083
Molecular Formular: C14H7Cl2FN2
Molecular Mass: 293.1231832
Monoisotopic Mass: 291.99703181
SMILES and InChIs

SMILES:
c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)F)Cl
Canonical SMILES:
Fc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)Cl
InChI:
InChI=1S/C14H7Cl2FN2/c15-9-3-6-12-11(7-9)13(16)19-14(18-12)8-1-4-10(17)5-2-8/h1-7H
InChIKey:
UWLPWQBWVAPHHN-UHFFFAOYSA-N

Cite this record

CBID:812083 http://www.chembase.cn/molecule-812083.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,6-dichloro-2-(4-fluorophenyl)quinazoline
IUPAC Traditional name
4,6-dichloro-2-(4-fluorophenyl)quinazoline
Synonyms
4,6-DICHLORO-2-(4-FLUORO-PHENYL)-QUINAZOLINE
CAS Number
461036-88-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31810 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31810 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) 5.3547893  LogD (pH = 7.4) 5.354792 
Log P 5.354792  Molar Refractivity 85.0989 cm3
Polarizability 29.778856 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% 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