4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

C17H14BrFN2O3 — CID 8728680

IUPAC4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H14BrFN2O3/c1-10(24-15-7-6-11(19)8-12(15)18)17(23)21-9-16(22)20-13-4-2-3-5-14(13)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyUUWYNQIDTZLXBB-JTQLQIEISA-N
MW393.21 g/mol
LogP3.34
Rot. Bonds3

About 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8728680) has the molecular formula C17H14BrFN2O3 and a molecular weight of 393.21 g/mol. Its IUPAC name is 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8728680
Molecular FormulaC17H14BrFN2O3
Molecular Weight393.21 g/mol
Exact Mass392.02
IUPAC Name4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H14BrFN2O3/c1-10(24-15-7-6-11(19)8-12(15)18)17(23)21-9-16(22)20-13-4-2-3-5-14(13)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m0/s1
InChIKeyUUWYNQIDTZLXBB-JTQLQIEISA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.21
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 94434788
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
4-[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 100511695
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
4-(2-bromo-5-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 28822405
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740534
[(1S)-1-(2,4-difluorophenyl)ethyl]-[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]azanium
CID 8688621
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 8728680) is 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is C[C@H](Oc1ccc(F)cc1Br)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is UUWYNQIDTZLXBB-JTQLQIEISA-N. The full InChI is InChI=1S/C17H14BrFN2O3/c1-10(24-15-7-6-11(19)8-12(15)18)17(23)21-9-16(22)20-13-4-2-3-5-14(13)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 393.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8728680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).