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162363-46-4 molecular structure
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4-chloro-6,7-diethoxyquinazoline

ChemBase ID: 797536
Molecular Formular: C12H13ClN2O2
Molecular Mass: 252.69682
Monoisotopic Mass: 252.06655535
SMILES and InChIs

SMILES:
c1(c(cc2ncnc(c2c1)Cl)OCC)OCC
Canonical SMILES:
CCOc1cc2c(cc1OCC)ncnc2Cl
InChI:
InChI=1S/C12H13ClN2O2/c1-3-16-10-5-8-9(6-11(10)17-4-2)14-7-15-12(8)13/h5-7H,3-4H2,1-2H3
InChIKey:
HGMQPDNSSYTATF-UHFFFAOYSA-N

Cite this record

CBID:797536 http://www.chembase.cn/molecule-797536.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-6,7-diethoxyquinazoline
IUPAC Traditional name
4-chloro-6,7-diethoxyquinazoline
Synonyms
4-CHLORO-6,7-DIETHOXY-QUINAZOLINE
CAS Number
162363-46-4
40862-12-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.647511  LogD (pH = 7.4) 2.6475573 
Log P 2.6475577  Molar Refractivity 67.0902 cm3
Polarizability 26.704138 Å3 Polar Surface Area 44.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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