1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile

C12H13N3O2 — CID 104720306

IUPAC1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
SMILESCOCCN1CC(=O)Nc2c(C#N)cccc21
InChIInChI=1S/C12H13N3O2/c1-17-6-5-15-8-11(16)14-12-9(7-13)3-2-4-10(12)15/h2-4H,5-6,8H2,1H3,(H,14,16)
InChIKeyADMUUZFQKUNDJW-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.96
Rot. Bonds3

About 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile

1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile (PubChem CID 104720306) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
PubChem CID104720306
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
SMILESCOCCN1CC(=O)Nc2c(C#N)cccc21
InChIInChI=1S/C12H13N3O2/c1-17-6-5-15-8-11(16)14-12-9(7-13)3-2-4-10(12)15/h2-4H,5-6,8H2,1H3,(H,14,16)
InChIKeyADMUUZFQKUNDJW-UHFFFAOYSA-N
XLogP0.96
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
CID 104720285
4-(3-methoxypropyl)-2-oxo-1,3-dihydroquinoxaline-6-carbonitrile
CID 117007038
6-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 79296050
4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577501
2-cyano-N-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 91761715
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]benzonitrile
CID 91768193
2-[2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)ethoxy]benzonitrile
CID 66074556
6-chloro-7-fluoro-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 114089769
6-fluoro-7-iodo-4-(2-methoxyethyl)-1,3-dihydroquinoxalin-2-one
CID 79296230
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazolidine-2,4-dione
CID 113427526
7-(2-methoxyethyl)-1-methyl-3-propyl-4,6-dihydropyrazolo[4,5-b]pyrazin-5-one
CID 79305379
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile?
The IUPAC name of 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile (CID 104720306) is 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile.
What is the SMILES notation for 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile?
The canonical SMILES for 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile is COCCN1CC(=O)Nc2c(C#N)cccc21.
What is the InChIKey of 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile?
The InChIKey is ADMUUZFQKUNDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-17-6-5-15-8-11(16)14-12-9(7-13)3-2-4-10(12)15/h2-4H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile?
1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile has a molecular weight of 231.25 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile is sourced from PubChem (CID 104720306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).