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

C18H18N2O3 — CID 3742915

IUPAC3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-15-18(22)19-14-10-6-7-11-16(14)20(15)17(21)12-23-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,22)
InChIKeyICSBKKIWEOGIFU-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.83
Rot. Bonds4

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

3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 3742915) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one
PubChem CID3742915
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one
SMILESCCC1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-15-18(22)19-14-10-6-7-11-16(14)20(15)17(21)12-23-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,22)
InChIKeyICSBKKIWEOGIFU-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one (CID 3742915) is 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one is CCC1C(=O)Nc2ccccc2N1C(=O)COc1ccccc1.
What is the InChIKey of 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ICSBKKIWEOGIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-15-18(22)19-14-10-6-7-11-16(14)20(15)17(21)12-23-13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3,(H,19,22).
What are the key properties of 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one?
3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2-phenoxyacetyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3742915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).