3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one

C13H19N3O — CID 143727301

IUPAC3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one
SMILESCCC1(C)C(=O)Nc2cc(NC)ccc2N1C
InChIInChI=1S/C13H19N3O/c1-5-13(2)12(17)15-10-8-9(14-3)6-7-11(10)16(13)4/h6-8,14H,5H2,1-4H3,(H,15,17)
InChIKeyNVMHEAFGPAXCAU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds2

About 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one

3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one (PubChem CID 143727301) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one
PubChem CID143727301
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one
SMILESCCC1(C)C(=O)Nc2cc(NC)ccc2N1C
InChIInChI=1S/C13H19N3O/c1-5-13(2)12(17)15-10-8-9(14-3)6-7-11(10)16(13)4/h6-8,14H,5H2,1-4H3,(H,15,17)
InChIKeyNVMHEAFGPAXCAU-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 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 ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one?
The IUPAC name of 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one (CID 143727301) is 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one?
The canonical SMILES for 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one is CCC1(C)C(=O)Nc2cc(NC)ccc2N1C.
What is the InChIKey of 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one?
The InChIKey is NVMHEAFGPAXCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-5-13(2)12(17)15-10-8-9(14-3)6-7-11(10)16(13)4/h6-8,14H,5H2,1-4H3,(H,15,17).
What are the key properties of 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one?
3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,4-dimethyl-7-(methylamino)-1H-quinoxalin-2-one is sourced from PubChem (CID 143727301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).