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164251513 molecular structure
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N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3,4,5-trimethoxybenzamide

ChemBase ID: 195603
Molecular Formular: C20H23N3O5
Molecular Mass: 385.41372
Monoisotopic Mass: 385.16377085
SMILES and InChIs

SMILES:
c12c(nc(NC(=O)c3cc(c(c(c3)OC)OC)OC)nc2)CC(CC1=O)(C)C
Canonical SMILES:
COc1cc(cc(c1OC)OC)C(=O)Nc1ncc2c(n1)CC(CC2=O)(C)C
InChI:
InChI=1S/C20H23N3O5/c1-20(2)8-13-12(14(24)9-20)10-21-19(22-13)23-18(25)11-6-15(26-3)17(28-5)16(7-11)27-4/h6-7,10H,8-9H2,1-5H3,(H,21,22,23,25)
InChIKey:
VXSQBHQKHXBONY-UHFFFAOYSA-N

Cite this record

CBID:195603 http://www.chembase.cn/molecule-195603.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-3,4,5-trimethoxybenzamide
IUPAC Traditional name
N-(7,7-dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)-3,4,5-trimethoxybenzamide
PubChem SID
164251513
PubChem CID
1491872

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1491872 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.406196  H Acceptors
H Donor LogD (pH = 5.5) 2.1162024 
LogD (pH = 7.4) 2.1122062  Log P 2.1162536 
Molar Refractivity 104.46 cm3 Polarizability 39.13901 Å3
Polar Surface Area 99.64 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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