4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

C17H14F2N2O3 — CID 8578040

IUPAC4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H14F2N2O3/c1-10(24-11-6-7-12(18)13(19)8-11)17(23)21-9-16(22)20-14-4-2-3-5-15(14)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyMCBJCKOUQXSLAO-SNVBAGLBSA-N
MW332.31 g/mol
LogP2.72
Rot. Bonds3

About 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one

4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 8578040) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID8578040
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H14F2N2O3/c1-10(24-11-6-7-12(18)13(19)8-11)17(23)21-9-16(22)20-14-4-2-3-5-15(14)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m1/s1
InChIKeyMCBJCKOUQXSLAO-SNVBAGLBSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 43818910
dimethyl 5-[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl]oxybenzene-1,3-dicarboxylate
CID 8740534
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
4-[(2S)-2-(2-bromo-4-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958195
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(2-fluorophenyl)acetate
CID 8958193
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 94434788
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-(2-fluoro-4-methoxybenzoyl)-1,3-dihydroquinoxalin-2-one
CID 24568356
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 8578040) is 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is MCBJCKOUQXSLAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-10(24-11-6-7-12(18)13(19)8-11)17(23)21-9-16(22)20-14-4-2-3-5-15(14)21/h2-8,10H,9H2,1H3,(H,20,22)/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 332.31 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 8578040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).