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61948-60-5 molecular structure
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2,4-dichloro-8-methoxyquinazoline

ChemBase ID: 294140
Molecular Formular: C9H6Cl2N2O
Molecular Mass: 229.06274
Monoisotopic Mass: 227.98571818
SMILES and InChIs

SMILES:
COc1cccc2c(Cl)nc(Cl)nc12
Canonical SMILES:
COc1cccc2c1nc(Cl)nc2Cl
InChI:
InChI=1S/C9H6Cl2N2O/c1-14-6-4-2-3-5-7(6)12-9(11)13-8(5)10/h2-4H,1H3
InChIKey:
DZNPOCHJCGTGCP-UHFFFAOYSA-N

Cite this record

CBID:294140 http://www.chembase.cn/molecule-294140.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,4-dichloro-8-methoxyquinazoline
IUPAC Traditional name
2,4-dichloro-8-methoxyquinazoline
Synonyms
2,4-Dichloro-8-methoxyquinazoline
CAS Number
61948-60-5
PubChem SID
180679671
PubChem CID
10421331

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 10421331 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.0001636  LogD (pH = 7.4) 3.0001636 
Log P 3.0001636  Molar Refractivity 56.6284 cm3
Polarizability 22.524555 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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