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

C13H19N3O — CID 115096362

IUPAC6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2cc(CN)ccc21
InChIInChI=1S/C13H19N3O/c1-4-16-11-6-5-9(8-14)7-10(11)15-13(2,3)12(16)17/h5-7,15H,4,8,14H2,1-3H3
InChIKeyQCAJYTROAHQJBA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds2

About 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one

6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one (PubChem CID 115096362) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
PubChem CID115096362
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2cc(CN)ccc21
InChIInChI=1S/C13H19N3O/c1-4-16-11-6-5-9(8-14)7-10(11)15-13(2,3)12(16)17/h5-7,15H,4,8,14H2,1-3H3
InChIKeyQCAJYTROAHQJBA-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-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 82157548
(1-ethyl-3,3-dimethyl-2,4-dihydroquinoxalin-6-yl)methanamine
CID 115096393
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507
6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115096299
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115094893
6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
CID 82157682
1-ethyl-7-hydroxy-3,3-dimethyl-5H-1,5-benzodiazepine-2,4-dione
CID 50943220
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
3-[(4-aminophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5200341
7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one
CID 115096207

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
The IUPAC name of 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one (CID 115096362) is 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one.
What is the SMILES notation for 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
The canonical SMILES for 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one is CCN1C(=O)C(C)(C)Nc2cc(CN)ccc21.
What is the InChIKey of 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
The InChIKey is QCAJYTROAHQJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-16-11-6-5-9(8-14)7-10(11)15-13(2,3)12(16)17/h5-7,15H,4,8,14H2,1-3H3.
What are the key properties of 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-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 6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one is sourced from PubChem (CID 115096362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).