4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one

C16H13FN2O2 — CID 79764947

IUPAC4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2CC(=O)Nc3ccccc32)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-10-6-7-11(12(17)8-10)16(21)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBSKWBQWMDOEJEU-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.73
Rot. Bonds1

About 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one

4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 79764947) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
PubChem CID79764947
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1ccc(C(=O)N2CC(=O)Nc3ccccc32)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-10-6-7-11(12(17)8-10)16(21)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,20)
InChIKeyBSKWBQWMDOEJEU-UHFFFAOYSA-N
XLogP2.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
4-(4-fluoro-2-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 115745127
4-(2,3-difluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 60620753
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 28822405
4-(2,5-dimethoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 16864034
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
4-(2,5-dihydroxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107722296
4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
4-(1,3-dimethylpyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 103662293
4-(3-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 30713300
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958658

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one (CID 79764947) is 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one is Cc1ccc(C(=O)N2CC(=O)Nc3ccccc32)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is BSKWBQWMDOEJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-6-7-11(12(17)8-10)16(21)19-9-15(20)18-13-4-2-3-5-14(13)19/h2-8H,9H2,1H3,(H,18,20).
What are the key properties of 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one?
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 284.29 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 79764947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).