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ScientificNameLabel
3-(2'-Carboxyphenyl)-quinazolin-4-one
PHCD compound ID : 4726
Chemical Names :
3-(2'-Carboxyphenyl)-quinazolin-4-one
Molecular Formula : C15H10N2O3
Molecular Weight : 266.069142
More Details :
Names & Synonyms: 2-(4-oxoquinazolin-3-yl)benzoic acid , 2-(4-oxo-3-quinazolinyl)benzoic acid , 2-(4-oxidanylidenequinazolin-3-yl)benzoic acid , 2-(4-ketoquinazolin-3-yl)benzoic acid
Smiles: OC(=O)c1ccccc1n1cnc2c(c1=O)cccc2
InChi : InChI=1S/C15H10N2O3/c18-14-10-5-1-3-7-12(10)16-9-17(14)13-8-4-2-6-11(13)15(19)20/h1-9H,(H,19,20)
InChi Key : InChIKey=DLLDDNSULBLDMB-UHFFFAOYSA-N
PubChem ID : 4381224
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.156123
Hydrogen bond donor count : 1 Electric dipole moment : 2.234
XLogP : 0.516 VDW volume : 233.762924
Molecular weight : 266.069142 HOMO-LUMO gap : 8.128000
Herb list :
Refrences & Litretures:
  
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
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