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164256143 molecular structure
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N-[7-(2,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3,4,5-trimethoxybenzamide

ChemBase ID: 200233
Molecular Formular: C26H27N3O7
Molecular Mass: 493.50848
Monoisotopic Mass: 493.18490022
SMILES and InChIs

SMILES:
c12c(nc(NC(=O)c3cc(c(c(c3)OC)OC)OC)nc2)CC(c2c(cc(cc2)OC)OC)CC1=O
Canonical SMILES:
COc1ccc(c(c1)OC)C1CC(=O)c2c(C1)nc(nc2)NC(=O)c1cc(OC)c(c(c1)OC)OC
InChI:
InChI=1S/C26H27N3O7/c1-32-16-6-7-17(21(12-16)33-2)14-8-19-18(20(30)9-14)13-27-26(28-19)29-25(31)15-10-22(34-3)24(36-5)23(11-15)35-4/h6-7,10-14H,8-9H2,1-5H3,(H,27,28,29,31)
InChIKey:
YTPIXIRGKBBYPC-UHFFFAOYSA-N

Cite this record

CBID:200233 http://www.chembase.cn/molecule-200233.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[7-(2,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]-3,4,5-trimethoxybenzamide
IUPAC Traditional name
N-[7-(2,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]-3,4,5-trimethoxybenzamide
PubChem SID
164256143
PubChem CID
4305377

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 4305377 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.40606  H Acceptors
H Donor LogD (pH = 5.5) 2.6346166 
LogD (pH = 7.4) 2.6306193  Log P 2.6346679 
Molar Refractivity 133.0063 cm3 Polarizability 50.09229 Å3
Polar Surface Area 118.1 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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INTERNET

INTERNET

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