8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one

C13H19N3O — CID 115096627

IUPAC8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCCN1c2cccc(CN)c2NC(=O)C1(C)C
InChIInChI=1S/C13H19N3O/c1-4-16-10-7-5-6-9(8-14)11(10)15-12(17)13(16,2)3/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeyVZBWJBORGYIYKO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds2

About 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one

8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 115096627) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID115096627
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCCN1c2cccc(CN)c2NC(=O)C1(C)C
InChIInChI=1S/C13H19N3O/c1-4-16-10-7-5-6-9(8-14)11(10)15-12(17)13(16,2)3/h5-7H,4,8,14H2,1-3H3,(H,15,17)
InChIKeyVZBWJBORGYIYKO-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2,2-dimethyl-3-oxo-4H-quinoxaline-5-carboxylic acid
CID 113332344
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
4-ethyl-6,8-difluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 115510079
5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115095793
4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
CID 79291560
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
8-bromo-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095543
6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one
CID 165440929
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
8-(aminomethyl)-2,2-dimethyl-4H-1,4-benzothiazin-3-one
CID 115096446
1-[[2-hydroxy-3-(5-methylbenzotriazol-2-yl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 11057614

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one (CID 115096627) is 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one is CCN1c2cccc(CN)c2NC(=O)C1(C)C.
What is the InChIKey of 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is VZBWJBORGYIYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-16-10-7-5-6-9(8-14)11(10)15-12(17)13(16,2)3/h5-7H,4,8,14H2,1-3H3,(H,15,17).
What are the key properties of 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one?
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 115096627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).