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885277-22-5 molecular structure
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4-chloro-2-(4-methoxyphenyl)-6-methylquinazoline

ChemBase ID: 812079
Molecular Formular: C16H13ClN2O
Molecular Mass: 284.74022
Monoisotopic Mass: 284.07164073
SMILES and InChIs

SMILES:
c1(ccc2nc(nc(c2c1)Cl)c1ccc(cc1)OC)C
Canonical SMILES:
COc1ccc(cc1)c1nc(Cl)c2c(n1)ccc(c2)C
InChI:
InChI=1S/C16H13ClN2O/c1-10-3-8-14-13(9-10)15(17)19-16(18-14)11-4-6-12(20-2)7-5-11/h3-9H,1-2H3
InChIKey:
SBQDBXIVANEOPQ-UHFFFAOYSA-N

Cite this record

CBID:812079 http://www.chembase.cn/molecule-812079.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-chloro-2-(4-methoxyphenyl)-6-methylquinazoline
IUPAC Traditional name
4-chloro-2-(4-methoxyphenyl)-6-methylquinazoline
Synonyms
4-CHLORO-2-(4-METHOXY-PHENYL)-6-METHYL-QUINAZOLINE
CAS Number
885277-22-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31806 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31806 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) 4.947326  LogD (pH = 7.4) 4.9473557 
Log P 4.947356  Molar Refractivity 91.5821 cm3
Polarizability 32.56807 Å3 Polar Surface Area 35.01 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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