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160585-42-2 molecular structure
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4-chloro-6,8-dimethylquinazoline

ChemBase ID: 806703
Molecular Formular: C10H9ClN2
Molecular Mass: 192.64486
Monoisotopic Mass: 192.04542598
SMILES and InChIs

SMILES:
c1(cc(c2ncnc(c2c1)Cl)C)C
Canonical SMILES:
Cc1cc(C)c2c(c1)c(Cl)ncn2
InChI:
InChI=1S/C10H9ClN2/c1-6-3-7(2)9-8(4-6)10(11)13-5-12-9/h3-5H,1-2H3
InChIKey:
QTAHKHWLAWFVQA-UHFFFAOYSA-N

Cite this record

CBID:806703 http://www.chembase.cn/molecule-806703.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6,8-dimethylquinazoline
IUPAC Traditional name
4-chloro-6,8-dimethylquinazoline
Synonyms
4-CHLORO-6,8-DIMETHYLQUINAZOLINE
CAS Number
160585-42-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24540 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24540 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) 3.27611  LogD (pH = 7.4) 3.2761269 
Log P 3.276127  Molar Refractivity 54.749 cm3
Polarizability 21.519726 Å3 Polar Surface Area 25.78 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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