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

C17H15ClN2O3 — CID 43818910

IUPAC4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H15ClN2O3/c1-11(23-13-8-6-12(18)7-9-13)17(22)20-10-16(21)19-14-4-2-3-5-15(14)20/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyPRBIBBADJWBMHC-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.09
Rot. Bonds3

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

4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 43818910) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
PubChem CID43818910
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H15ClN2O3/c1-11(23-13-8-6-12(18)7-9-13)17(22)20-10-16(21)19-14-4-2-3-5-15(14)20/h2-9,11H,10H2,1H3,(H,19,21)
InChIKeyPRBIBBADJWBMHC-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-2-(3,4-difluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8578040
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-methylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8958012
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910
4-[(2S)-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 94434788
4-[(2R)-2-phenoxybutanoyl]-1,3-dihydroquinoxalin-2-one
CID 40747048
4-[(2S)-2-(2-bromo-4-fluorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8728680
4-[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 8886531
[(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
4-[(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 100511695
4-[(2S)-2-bromo-3-methylbutanoyl]-1,3-dihydroquinoxalin-2-one
CID 28822186

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one (CID 43818910) is 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is CC(Oc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is PRBIBBADJWBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11(23-13-8-6-12(18)7-9-13)17(22)20-10-16(21)19-14-4-2-3-5-15(14)20/h2-9,11H,10H2,1H3,(H,19,21).
What are the key properties of 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 330.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenoxy)propanoyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 43818910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).