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3-methoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
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ChemBase ID:
200343
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Molecular Formular:
C25H25N3O6
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Molecular Mass:
463.4825
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Monoisotopic Mass:
463.17433554
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SMILES and InChIs
SMILES:
c12c(nc(NC(=O)c3cc(OC)ccc3)nc2)CC(c2cc(c(c(c2)OC)OC)OC)CC1=O
Canonical SMILES:
COc1cccc(c1)C(=O)Nc1ncc2c(n1)CC(CC2=O)c1cc(OC)c(c(c1)OC)OC
InChI:
InChI=1S/C25H25N3O6/c1-31-17-7-5-6-14(8-17)24(30)28-25-26-13-18-19(27-25)9-15(10-20(18)29)16-11-21(32-2)23(34-4)22(12-16)33-3/h5-8,11-13,15H,9-10H2,1-4H3,(H,26,27,28,30)
InChIKey:
LFYWQSALNYYFCX-UHFFFAOYSA-N
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Cite this record
CBID:200343 http://www.chembase.cn/molecule-200343.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-methoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
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IUPAC Traditional name
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3-methoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
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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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9.343526
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H Acceptors
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8
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H Donor
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1
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LogD (pH = 5.5)
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2.79228
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LogD (pH = 7.4)
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2.7876673
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Log P
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2.792339
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Molar Refractivity
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126.5431 cm3
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Polarizability
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47.55255 Å3
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Polar Surface Area
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108.87 Å2
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Rotatable Bonds
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7
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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