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62484-12-2 molecular structure
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7-methoxyquinazoline-2,4-diol

ChemBase ID: 289743
Molecular Formular: C9H8N2O3
Molecular Mass: 192.17142
Monoisotopic Mass: 192.05349213
SMILES and InChIs

SMILES:
Oc1nc(O)c2ccc(OC)cc2n1
Canonical SMILES:
COc1ccc2c(c1)nc(nc2O)O
InChI:
InChI=1S/C9H8N2O3/c1-14-5-2-3-6-7(4-5)10-9(13)11-8(6)12/h2-4H,1H3,(H2,10,11,12,13)
InChIKey:
BTEAXSZDTYHOGC-UHFFFAOYSA-N

Cite this record

CBID:289743 http://www.chembase.cn/molecule-289743.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxyquinazoline-2,4-diol
IUPAC Traditional name
7-methoxyquinazoline-2,4-diol
Synonyms
7-Methoxyquinazoline-2,4-diol
CAS Number
62484-12-2
PubChem SID
180675274
PubChem CID
19604241

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD225585 Please log in.
Data Source Data ID
PubChem 19604241 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.348983  H Acceptors
H Donor LogD (pH = 5.5) 1.933504 
LogD (pH = 7.4) 1.9334993  Log P 1.9335042 
Molar Refractivity 49.485 cm3 Polarizability 19.790344 Å3
Polar Surface Area 75.47 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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