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164256253 molecular structure
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3-methoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide

ChemBase ID: 200343
Molecular Formular: C25H25N3O6
Molecular Mass: 463.4825
Monoisotopic Mass: 463.17433554
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

Cite this record

CBID:200343 http://www.chembase.cn/molecule-200343.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinazolin-2-yl]benzamide
IUPAC Traditional name
3-methoxy-N-[5-oxo-7-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-quinazolin-2-yl]benzamide
PubChem SID
164256253
PubChem CID
3649180

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3649180 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.343526  H Acceptors
H Donor LogD (pH = 5.5) 2.79228 
LogD (pH = 7.4) 2.7876673  Log P 2.792339 
Molar Refractivity 126.5431 cm3 Polarizability 47.55255 Å3
Polar Surface Area 108.87 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Classification
Derivatives & analogs of Natural Compounds expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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