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2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
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ChemBase ID:
340123
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Molecular Formular:
C19H20N4O3
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Molecular Mass:
352.3871
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Monoisotopic Mass:
352.15354052
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SMILES and InChIs
SMILES:
c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CN1C(=O)OCC1
Canonical SMILES:
O=C(NC1CCCc2c1cnc(n2)c1ccccc1)CN1CCOC1=O
InChI:
InChI=1S/C19H20N4O3/c24-17(12-23-9-10-26-19(23)25)21-15-7-4-8-16-14(15)11-20-18(22-16)13-5-2-1-3-6-13/h1-3,5-6,11,15H,4,7-10,12H2,(H,21,24)
InChIKey:
VQDVEBFEJKSPGC-UHFFFAOYSA-N
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Cite this record
CBID:340123 http://www.chembase.cn/molecule-340123.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
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IUPAC Traditional name
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2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
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Synonyms
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2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)acetamide
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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13.604907
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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1.9072506
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LogD (pH = 7.4)
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1.9074775
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Log P
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1.9074806
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Molar Refractivity
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105.1634 cm3
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Polarizability
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36.96993 Å3
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Polar Surface Area
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84.42 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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H Acceptors
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5
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H Donor
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1
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Log P
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1.64
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LOG S
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-3.74
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Polar Surface Area
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84.42 Å2
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Rotatable Bonds
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4
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent