AJ4

7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one

Created:	2013-01-29
Last modified:	2013-06-26

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1 entries where AJ4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	12

2D diagram of AJ4

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Chemical Component Summary
Name	7-(2-fluorophenyl)-4-methylquinolin-2(1H)-one
Systematic Name (OpenEye OEToolkits)	7-(2-fluorophenyl)-4-methyl-1H-quinolin-2-one
Formula	C₁₆ H₁₂ F N O
Molecular Weight	253.271
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc3ccccc3c1ccc2c(c1)NC(=O)C=C2C
SMILES	CACTVS	3.370	CC1=CC(=O)Nc2cc(ccc12)c3ccccc3F
SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F
Canonical SMILES	CACTVS	3.370	CC1=CC(=O)Nc2cc(ccc12)c3ccccc3F
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC1=CC(=O)Nc2c1ccc(c2)c3ccccc3F
InChI	InChI	1.03	InChI=1S/C16H12FNO/c1-10-8-16(19)18-15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)17/h2-9H,1H3,(H,18,19)
InChIKey	InChI	1.03	PPOQMSJVMJCEAI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2381633
PubChem	71576800
ChEMBL	CHEMBL2381633

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