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885277-24-7 molecular structure
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4,7-dichloro-2-(4-methoxyphenyl)quinazoline

ChemBase ID: 812080
Molecular Formular: C15H10Cl2N2O
Molecular Mass: 305.1587
Monoisotopic Mass: 304.01701831
SMILES and InChIs

SMILES:
c1c(cc2nc(nc(c2c1)Cl)c1ccc(cc1)OC)Cl
Canonical SMILES:
COc1ccc(cc1)c1nc(Cl)c2c(n1)cc(cc2)Cl
InChI:
InChI=1S/C15H10Cl2N2O/c1-20-11-5-2-9(3-6-11)15-18-13-8-10(16)4-7-12(13)14(17)19-15/h2-8H,1H3
InChIKey:
MXKDYHWFGRGCPT-UHFFFAOYSA-N

Cite this record

CBID:812080 http://www.chembase.cn/molecule-812080.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4,7-dichloro-2-(4-methoxyphenyl)quinazoline
IUPAC Traditional name
4,7-dichloro-2-(4-methoxyphenyl)quinazoline
Synonyms
4,7-DICHLORO-2-(4-METHOXY-PHENYL)-QUINAZOLINE
CAS Number
885277-24-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31807 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31807 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) 5.0117335  LogD (pH = 7.4) 5.0117373 
Log P 5.0117373  Molar Refractivity 91.3457 cm3
Polarizability 32.647465 Å3 Polar Surface Area 35.01 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

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PATENTS

PATENTS

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INTERNET

INTERNET

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