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16064-24-7 molecular structure
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7-methoxy-1,4-dihydroquinazolin-4-one

ChemBase ID: 289423
Molecular Formular: C9H8N2O2
Molecular Mass: 176.17202
Monoisotopic Mass: 176.05857751
SMILES and InChIs

SMILES:
O=c1nc[nH]c2c1ccc(OC)c2
Canonical SMILES:
COc1ccc2c(c1)[nH]cnc2=O
InChI:
InChI=1S/C9H8N2O2/c1-13-6-2-3-7-8(4-6)10-5-11-9(7)12/h2-5H,1H3,(H,10,11,12)
InChIKey:
PPGWFCHOWMFNRI-UHFFFAOYSA-N

Cite this record

CBID:289423 http://www.chembase.cn/molecule-289423.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-methoxy-1,4-dihydroquinazolin-4-one
IUPAC Traditional name
7-methoxy-1H-quinazolin-4-one
Synonyms
7-Methoxyquinazolin-4(1H)-one
CAS Number
16064-24-7
MDL Number
MFCD08460971
PubChem SID
180674954
PubChem CID
3792993

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD220743 Please log in.
Data Source Data ID
PubChem 3792993 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.588288  H Acceptors
H Donor LogD (pH = 5.5) 1.0843408 
LogD (pH = 7.4) 1.0588017  Log P 1.0846813 
Molar Refractivity 48.9292 cm3 Polarizability 17.726213 Å3
Polar Surface Area 50.69 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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