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

C17H13N3O3 — CID 2706735

IUPAC2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H13N3O3/c18-9-12-5-1-4-8-15(12)23-11-17(22)20-10-16(21)19-13-6-2-3-7-14(13)20/h1-8H,10-11H2,(H,19,21)
InChIKeySTUMPSOJGYLEEQ-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.92
Rot. Bonds3

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

2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile (PubChem CID 2706735) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
PubChem CID2706735
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCC(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C17H13N3O3/c18-9-12-5-1-4-8-15(12)23-11-17(22)20-10-16(21)19-13-6-2-3-7-14(13)20/h1-8H,10-11H2,(H,19,21)
InChIKeySTUMPSOJGYLEEQ-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

4-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile
CID 7818538
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
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-(2-methoxyphenoxy)acetate
CID 7854017
4-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860757
4-[2-(3-phenoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 2640660
2-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethoxy]benzonitrile
CID 62896297
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 4-methylbenzoate
CID 2506258
2-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethoxy]benzonitrile
CID 31921669
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-fluorobenzoate
CID 2431024
4-[2-(2-methoxy-4-prop-2-enylphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860602
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-fluorophenyl)acetate
CID 7758909

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile (CID 2706735) is 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile is N#Cc1ccccc1OCC(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
The InChIKey is STUMPSOJGYLEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c18-9-12-5-1-4-8-15(12)23-11-17(22)20-10-16(21)19-13-6-2-3-7-14(13)20/h1-8H,10-11H2,(H,19,21).
What are the key properties of 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile?
2-[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 2-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 2706735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).