3F4

2-(4-hydroxyphenyl)-3H-quinazolin-4-one

Created:	2013-06-20
Last modified:	2014-09-05

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1 entries where 3F4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

2D diagram of 3F4

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Chemical Component Summary
Name	2-(4-hydroxyphenyl)-3H-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-(4-hydroxyphenyl)-3H-quinazolin-4-one
Formula	C₁₄ H₁₀ N₂ O₂
Molecular Weight	238.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C2c3ccccc3N=C(c1ccc(O)cc1)N2
SMILES	CACTVS	3.385	Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)O
InChI	InChI	1.03	InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)13-15-12-4-2-1-3-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
InChIKey	InChI	1.03	HMZVOPJPTNTGGO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3289108
PubChem	135405744, 2810961
ChEMBL	CHEMBL3289108

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