2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile

C11H11N3O2 — CID 104720315

IUPAC2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
SMILESCOCC1Nc2cccc(C#N)c2NC1=O
InChIInChI=1S/C11H11N3O2/c1-16-6-9-11(15)14-10-7(5-12)3-2-4-8(10)13-9/h2-4,9,13H,6H2,1H3,(H,14,15)
InChIKeyMYKYBSITONJXKW-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.94
Rot. Bonds2

About 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile

2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile (PubChem CID 104720315) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
PubChem CID104720315
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
SMILESCOCC1Nc2cccc(C#N)c2NC1=O
InChIInChI=1S/C11H11N3O2/c1-16-6-9-11(15)14-10-7(5-12)3-2-4-8(10)13-9/h2-4,9,13H,6H2,1H3,(H,14,15)
InChIKeyMYKYBSITONJXKW-UHFFFAOYSA-N
XLogP0.94
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile
CID 104720312
3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carbonitrile
CID 104720264
2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
4-oxo-2-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carbonitrile
CID 113445144
4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
CID 104720282
3-(methoxymethyl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxylic acid
CID 82790960
N-(2-cyanophenyl)-2-[(2R)-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 681566
3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-6-carbonitrile
CID 105356163
3-benzoyl-12-(methoxymethyl)-5,7,10,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-11-one
CID 170084530
1-(2-methoxyethyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
CID 104720306
2-(2-carboxyethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carboxylic acid
CID 115544023
2-oxo-1,4-dihydro-3,1-benzoxazine-8-carbonitrile
CID 170902602

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile?
The IUPAC name of 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile (CID 104720315) is 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile.
What is the SMILES notation for 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile?
The canonical SMILES for 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile is COCC1Nc2cccc(C#N)c2NC1=O.
What is the InChIKey of 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile?
The InChIKey is MYKYBSITONJXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-16-6-9-11(15)14-10-7(5-12)3-2-4-8(10)13-9/h2-4,9,13H,6H2,1H3,(H,14,15).
What are the key properties of 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile?
2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile has a molecular weight of 217.23 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile is sourced from PubChem (CID 104720315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).