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61948-65-0 molecular structure
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2-chloro-8-methoxyquinazolin-4-amine

ChemBase ID: 289742
Molecular Formular: C9H8ClN3O
Molecular Mass: 209.63232
Monoisotopic Mass: 209.03558957
SMILES and InChIs

SMILES:
Nc1c2cccc(OC)c2nc(Cl)n1
Canonical SMILES:
COc1cccc2c1nc(Cl)nc2N
InChI:
InChI=1S/C9H8ClN3O/c1-14-6-4-2-3-5-7(6)12-9(10)13-8(5)11/h2-4H,1H3,(H2,11,12,13)
InChIKey:
ITKDSMATEOCBLJ-UHFFFAOYSA-N

Cite this record

CBID:289742 http://www.chembase.cn/molecule-289742.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-8-methoxyquinazolin-4-amine
IUPAC Traditional name
2-chloro-8-methoxyquinazolin-4-amine
Synonyms
2-Chloro-8-methoxyquinazolin-4-amine
CAS Number
61948-65-0
PubChem SID
180675273
PubChem CID
12320028

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225584 Please log in.
Data Source Data ID
PubChem 12320028 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9414653  LogD (pH = 7.4) 1.9414731 
Log P 1.9414732  Molar Refractivity 55.7762 cm3
Polarizability 21.699429 Å3 Polar Surface Area 61.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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