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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Related Compounds

Samelisant
CID 60151477
2H-1,4-benzoxazin-3(4H)-one
CID 72757
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
N-(2-methoxyphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide
CID 2834475
Phenoxyacetanilide
CID 264248
2-(4-methylpiperazino)-N-(2-phenoxyphenyl)acetamide
CID 2813152
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
1H-1,4,7-Benzotriazonine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-ethoxyphenyl)-
CID 654114

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).