4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one

C15H11FN2O2 — CID 3159804

IUPAC4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)15(20)18-9-14(19)17-12-6-1-2-7-13(12)18/h1-8H,9H2,(H,17,19)
InChIKeyODRDIOPJBQURDH-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.42
Rot. Bonds1

About 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one

4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 3159804) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID3159804
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2cccc(F)c2)c2ccccc2N1
InChIInChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)15(20)18-9-14(19)17-12-6-1-2-7-13(12)18/h1-8H,9H2,(H,17,19)
InChIKeyODRDIOPJBQURDH-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylsulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16863988
4-[3-(chloromethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 43156396
1-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-phenylethane-1,2-dione
CID 2445640
4-(3,4-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 103956224
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 28822405
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-[3-(methoxymethyl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 26263034
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863954
4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 16863960
4-(3H-benzimidazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667501
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one (CID 3159804) is 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2cccc(F)c2)c2ccccc2N1.
What is the InChIKey of 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ODRDIOPJBQURDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c16-11-5-3-4-10(8-11)15(20)18-9-14(19)17-12-6-1-2-7-13(12)18/h1-8H,9H2,(H,17,19).
What are the key properties of 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 270.26 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3159804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).