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

C16H14N2O3 — CID 6459573

IUPAC4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-15-10-18(14-9-5-4-8-13(14)17-15)16(20)11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKeyTZAPHEAHDVUJPL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.05
Rot. Bonds3

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

4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 6459573) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID6459573
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccccc2)c2ccccc2N1
InChIInChI=1S/C16H14N2O3/c19-15-10-18(14-9-5-4-8-13(14)17-15)16(20)11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19)
InChIKeyTZAPHEAHDVUJPL-UHFFFAOYSA-N
XLogP2.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one (CID 6459573) is 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2ccccc2)c2ccccc2N1.
What is the InChIKey of 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is TZAPHEAHDVUJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15-10-18(14-9-5-4-8-13(14)17-15)16(20)11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,19).
What are the key properties of 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 282.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 6459573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).