BJ4

8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one

Created:	2015-03-27
Last modified:	2016-04-13

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1 entries where BJ4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	36
Aromatic Bond Count	12

2D diagram of BJ4

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Chemical Component Summary
Name	8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
Systematic Name (OpenEye OEToolkits)	8-methoxy-2-(4-methylphenyl)-3H-quinazolin-4-one
Formula	C₁₆ H₁₄ N₂ O₂
Molecular Weight	266.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1cccc2C(=O)NC(=Nc12)c3ccc(C)cc3
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2
Canonical SMILES	CACTVS	3.385	COc1cccc2C(=O)NC(=Nc12)c3ccc(C)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2
InChI	InChI	1.03	InChI=1S/C16H14N2O2/c1-10-6-8-11(9-7-10)15-17-14-12(16(19)18-15)4-3-5-13(14)20-2/h3-9H,1-2H3,(H,17,18,19)
InChIKey	InChI	1.03	JKCKQJATUNERKN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3827329
PubChem	12935003, 135566972
ChEMBL	CHEMBL3827329

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