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162214509 molecular structure
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3-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydroquinazolin-4-one

ChemBase ID: 120156
Molecular Formular: C11H12N2O4
Molecular Mass: 236.22398
Monoisotopic Mass: 236.07970687
SMILES and InChIs

SMILES:
n1(c(=O)c2c(nc1C)cc(c(c2)OC)OC)O
Canonical SMILES:
COc1cc2c(cc1OC)nc(n(c2=O)O)C
InChI:
InChI=1S/C11H12N2O4/c1-6-12-8-5-10(17-3)9(16-2)4-7(8)11(14)13(6)15/h4-5,15H,1-3H3
InChIKey:
WVGGWRQXRFVXFA-UHFFFAOYSA-N

Cite this record

CBID:120156 http://www.chembase.cn/molecule-120156.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydroxy-6,7-dimethoxy-2-methyl-3,4-dihydroquinazolin-4-one
IUPAC Traditional name
3-hydroxy-6,7-dimethoxy-2-methylquinazolin-4-one
Synonyms
3-hydroxy-6,7-dimethoxy-2-methylquinazolin-4(3H)-one
PubChem SID
162214509
PubChem CID
52996972

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 52996972 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.9297543  H Acceptors
H Donor LogD (pH = 5.5) 0.31833595 
LogD (pH = 7.4) -0.9789576  Log P 0.45491624 
Molar Refractivity 62.0809 cm3 Polarizability 22.568611 Å3
Polar Surface Area 71.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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