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N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3,4,5-trimethoxybenzamide
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ChemBase ID:
195603
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Molecular Formular:
C20H23N3O5
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Molecular Mass:
385.41372
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Monoisotopic Mass:
385.16377085
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SMILES and InChIs
SMILES:
c12c(nc(NC(=O)c3cc(c(c(c3)OC)OC)OC)nc2)CC(CC1=O)(C)C
Canonical SMILES:
COc1cc(cc(c1OC)OC)C(=O)Nc1ncc2c(n1)CC(CC2=O)(C)C
InChI:
InChI=1S/C20H23N3O5/c1-20(2)8-13-12(14(24)9-20)10-21-19(22-13)23-18(25)11-6-15(26-3)17(28-5)16(7-11)27-4/h6-7,10H,8-9H2,1-5H3,(H,21,22,23,25)
InChIKey:
VXSQBHQKHXBONY-UHFFFAOYSA-N
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Cite this record
CBID:195603 http://www.chembase.cn/molecule-195603.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3,4,5-trimethoxybenzamide
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IUPAC Traditional name
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N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3,4,5-trimethoxybenzamide
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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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9.406196
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H Acceptors
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7
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H Donor
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1
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LogD (pH = 5.5)
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2.1162024
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LogD (pH = 7.4)
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2.1122062
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Log P
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2.1162536
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Molar Refractivity
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104.46 cm3
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Polarizability
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39.13901 Å3
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Polar Surface Area
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99.64 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Product Information
Bioassay(PubChem)
Classification
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Derivatives & analogs of Natural Compounds
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent