3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one

C10H11N3O — CID 117274834

IUPAC3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
SMILESCc1ccc2nc(CN)c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O/c1-6-2-3-7-8(4-6)13-10(14)9(5-11)12-7/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyPLFXYLCAJULKKL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.69
Rot. Bonds1

About 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one

3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one (PubChem CID 117274834) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
PubChem CID117274834
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one
SMILESCc1ccc2nc(CN)c(=O)[nH]c2c1
InChIInChI=1S/C10H11N3O/c1-6-2-3-7-8(4-6)13-10(14)9(5-11)12-7/h2-4H,5,11H2,1H3,(H,13,14)
InChIKeyPLFXYLCAJULKKL-UHFFFAOYSA-N
XLogP0.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
CID 177146036
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
ethyl 6-methyl-3-oxo-4H-quinoxaline-2-carboxylate;ethyl 7-methyl-3-oxo-4H-quinoxaline-2-carboxylate
CID 123754273
3-(aminomethyl)-6-methyl-1H-quinolin-2-one
CID 6487618
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
3-[(E)-2-(2,5-dimethylphenyl)-2-hydroxyethenyl]-7-methyl-1H-quinoxalin-2-one
CID 135637753
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
2-amino-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide;hydrochloride
CID 119326371
7-methyl-1H-quinoxalin-2-one
CID 583114
1-(6-methyl-1H-benzimidazol-2-yl)propan-1-one;propane
CID 168980349
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one?
The IUPAC name of 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one (CID 117274834) is 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one is Cc1ccc2nc(CN)c(=O)[nH]c2c1.
What is the InChIKey of 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one?
The InChIKey is PLFXYLCAJULKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-6-2-3-7-8(4-6)13-10(14)9(5-11)12-7/h2-4H,5,11H2,1H3,(H,13,14).
What are the key properties of 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one?
3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one has a molecular weight of 189.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 117274834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).