4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile

C17H13N3O3 — CID 7818538

IUPAC4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H13N3O3/c18-9-12-5-7-13(8-6-12)23-11-17(22)20-10-16(21)19-14-3-1-2-4-15(14)20/h1-8H,10-11H2,(H,19,21)
InChIKeyZVBMMNXQGBBZTR-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.92
Rot. Bonds3

About 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile

4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile (PubChem CID 7818538) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
PubChem CID7818538
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C17H13N3O3/c18-9-12-5-7-13(8-6-12)23-11-17(22)20-10-16(21)19-14-3-1-2-4-15(14)20/h1-8H,10-11H2,(H,19,21)
InChIKeyZVBMMNXQGBBZTR-UHFFFAOYSA-N
XLogP1.92
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 2706735
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2438205
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-phenylphenoxy)acetate
CID 9140470
4-[2-(3-phenoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2640660
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
4-[2-(2-oxochromen-7-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
CID 2705042
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
N-[2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]phenyl]acetamide
CID 2411041
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(3-chlorophenoxy)acetate
CID 7803707
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile (CID 7818538) is 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile is N#Cc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
The InChIKey is ZVBMMNXQGBBZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-9-12-5-7-13(8-6-12)23-11-17(22)20-10-16(21)19-14-3-1-2-4-15(14)20/h1-8H,10-11H2,(H,19,21).
What are the key properties of 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile has a molecular weight of 307.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 7818538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).