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N-[7-(2,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
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ChemBase ID:
200532
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Molecular Formular:
C18H19N3O4
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Molecular Mass:
341.36116
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Monoisotopic Mass:
341.1375561
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SMILES and InChIs
SMILES:
c12c(nc(NC(=O)C)nc2)CC(c2c(cc(cc2)OC)OC)CC1=O
Canonical SMILES:
COc1cc(OC)ccc1C1CC(=O)c2c(C1)nc(nc2)NC(=O)C
InChI:
InChI=1S/C18H19N3O4/c1-10(22)20-18-19-9-14-15(21-18)6-11(7-16(14)23)13-5-4-12(24-2)8-17(13)25-3/h4-5,8-9,11H,6-7H2,1-3H3,(H,19,20,21,22)
InChIKey:
AMKMHWZZDMWEEO-UHFFFAOYSA-N
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Cite this record
CBID:200532 http://www.chembase.cn/molecule-200532.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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N-[7-(2,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide
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IUPAC Traditional name
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N-[7-(2,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
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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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11.970074
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H Acceptors
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6
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H Donor
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1
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LogD (pH = 5.5)
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1.2535068
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LogD (pH = 7.4)
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1.253496
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Log P
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1.2535073
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Molar Refractivity
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92.9462 cm3
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Polarizability
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34.78411 Å3
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Polar Surface Area
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90.41 Å2
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Rotatable Bonds
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4
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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