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164256442 molecular structure
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N-[7-(2,4-dimethoxyphenyl)-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl]acetamide

ChemBase ID: 200532
Molecular Formular: C18H19N3O4
Molecular Mass: 341.36116
Monoisotopic Mass: 341.1375561
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

Cite this record

CBID:200532 http://www.chembase.cn/molecule-200532.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]acetamide
IUPAC Traditional name
N-[7-(2,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]acetamide
PubChem SID
164256442
PubChem CID
3162743

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3162743 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.970074  H Acceptors
H Donor LogD (pH = 5.5) 1.2535068 
LogD (pH = 7.4) 1.253496  Log P 1.2535073 
Molar Refractivity 92.9462 cm3 Polarizability 34.78411 Å3
Polar Surface Area 90.41 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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