4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile

C14H18N4O — CID 117031386

IUPAC4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
SMILESCN1C(=O)CN(C(C)(C)CN)c2cc(C#N)ccc21
InChIInChI=1S/C14H18N4O/c1-14(2,9-16)18-8-13(19)17(3)11-5-4-10(7-15)6-12(11)18/h4-6H,8-9,16H2,1-3H3
InChIKeyHENGPCZNPLMBGW-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.08
Rot. Bonds2

About 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile

4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile (PubChem CID 117031386) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
PubChem CID117031386
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
SMILESCN1C(=O)CN(C(C)(C)CN)c2cc(C#N)ccc21
InChIInChI=1S/C14H18N4O/c1-14(2,9-16)18-8-13(19)17(3)11-5-4-10(7-15)6-12(11)18/h4-6H,8-9,16H2,1-3H3
InChIKeyHENGPCZNPLMBGW-UHFFFAOYSA-N
XLogP1.08
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-2-methylpropan-2-yl)-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031561
1,5-dimethyl-2,4-dioxo-1,5-benzodiazepine-7-carbonitrile
CID 70656402
4-(3-amino-2-methylpropyl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031391
1-methyl-2-oxo-4-propan-2-yl-3H-quinoxaline-6-carbonitrile
CID 117007080
1-(2-cyanoethyl)-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117031604
5-(2-aminoethyl)-1-methyl-2-oxo-3,4-dihydro-1,5-benzodiazepine-7-carbonitrile
CID 84631294
1-cyclopropyl-4-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007213
4-(azetidin-3-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117031393
4-(2-amino-2-methylpropyl)-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117031361
4-methyl-2-oxo-1-(2-sulfanylethyl)-3H-quinoxaline-6-carbonitrile
CID 117031575
1-ethyl-4-methyl-2-oxo-3H-quinoxaline-6-carbonitrile
CID 117007192
4-ethyl-1-methyl-3-oxo-2H-quinoxaline-6-carbonitrile
CID 117007059

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile (CID 117031386) is 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile is CN1C(=O)CN(C(C)(C)CN)c2cc(C#N)ccc21.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
The InChIKey is HENGPCZNPLMBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,9-16)18-8-13(19)17(3)11-5-4-10(7-15)6-12(11)18/h4-6H,8-9,16H2,1-3H3.
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile?
4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile has a molecular weight of 258.32 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)-1-methyl-2-oxo-3H-quinoxaline-6-carbonitrile is sourced from PubChem (CID 117031386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).