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2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one
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ChemBase ID:
290324
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Molecular Formular:
C20H22N2O5
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Molecular Mass:
370.39908
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Monoisotopic Mass:
370.15287181
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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
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Cite this record
CBID:290324 http://www.chembase.cn/molecule-290324.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3,4-dihydroquinazolin-4-one
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IUPAC Traditional name
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2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
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Synonyms
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2-(4-(2-Hydroxyethoxy)-3,5-dimethylphenyl)-5,7-dimethoxyquinazolin-4(3H)-one
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RVX-000222
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RVX-208(RVX-000222)
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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7.8944373
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H Acceptors
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6
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H Donor
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2
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LogD (pH = 5.5)
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2.4897768
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LogD (pH = 7.4)
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2.3862514
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Log P
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2.4913418
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Molar Refractivity
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103.8247 cm3
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Polarizability
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38.13947 Å3
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Polar Surface Area
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89.38 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent