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1044870-39-4 molecular structure
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2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one

ChemBase ID: 290324
Molecular Formular: C20H22N2O5
Molecular Mass: 370.39908
Monoisotopic Mass: 370.15287181
SMILES and InChIs

SMILES:
COc1cc(OC)c2c(=O)[nH]c(nc2c1)c1cc(C)c(OCCO)c(C)c1
Canonical SMILES:
OCCOc1c(C)cc(cc1C)c1nc2cc(OC)cc(c2c(=O)[nH]1)OC
InChI:
InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
InChIKey:
NETXMUIMUZJUTB-UHFFFAOYSA-N

Cite this record

CBID:290324 http://www.chembase.cn/molecule-290324.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one
IUPAC Traditional name
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
Synonyms
2-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one
RVX-000222
RVX-208(RVX-000222)
CAS Number
1044870-39-4
MDL Number
MFCD18633270
PubChem SID
180675855
PubChem CID
24871506

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.8944373  H Acceptors
H Donor LogD (pH = 5.5) 2.4897768 
LogD (pH = 7.4) 2.3862514  Log P 2.4913418 
Molar Refractivity 103.8247 cm3 Polarizability 38.13947 Å3
Polar Surface Area 89.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Epigenetic Reader Domain expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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