1R5

7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one

Created:	2013-05-03
Last modified:	2013-05-29

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1 entries where 1R5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	12

2D diagram of 1R5

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Chemical Component Summary
Name	7-(4-fluorophenyl)-3-hydroxyquinolin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	7-(4-fluorophenyl)-3-oxidanyl-1H-quinolin-2-one
Formula	C₁₅ H₁₀ F N O₂
Molecular Weight	255.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc3ccc(c1ccc2c(c1)NC(=O)C(O)=C2)cc3
SMILES	CACTVS	3.370	OC1=Cc2ccc(cc2NC1=O)c3ccc(F)cc3
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F
Canonical SMILES	CACTVS	3.370	OC1=Cc2ccc(cc2NC1=O)c3ccc(F)cc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1c2ccc3c(c2)NC(=O)C(=C3)O)F
InChI	InChI	1.03	InChI=1S/C15H10FNO2/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(18)15(19)17-13(11)7-10/h1-8,18H,(H,17,19)
InChIKey	InChI	1.03	YFFXAOFQLPIPER-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71463589
ChEMBL	CHEMBL2386739

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