6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

C11H15N3O — CID 115096299

IUPAC6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(CN)ccc2N(C)C1=O
InChIInChI=1S/C11H15N3O/c1-7-11(15)14(2)10-4-3-8(6-12)5-9(10)13-7/h3-5,7,13H,6,12H2,1-2H3
InChIKeyICHUGRYZYSYFHY-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.92
Rot. Bonds1

About 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 115096299) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID115096299
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(CN)ccc2N(C)C1=O
InChIInChI=1S/C11H15N3O/c1-7-11(15)14(2)10-4-3-8(6-12)5-9(10)13-7/h3-5,7,13H,6,12H2,1-2H3
InChIKeyICHUGRYZYSYFHY-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115095793
6-ethyl-1-methyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84627150
6,7-dimethoxy-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157443
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione
CID 113460325
6-(aminomethyl)-4-(2-hydroxyethyl)-2-methyl-1,4-benzothiazin-3-one
CID 115216197
6-(aminomethyl)-2-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-one
CID 12921368
1,6-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84622977
6-(aminomethyl)-3-methyl-1H-benzimidazol-2-one
CID 65037640
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (CID 115096299) is 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is CC1Nc2cc(CN)ccc2N(C)C1=O.
What is the InChIKey of 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is ICHUGRYZYSYFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-11(15)14(2)10-4-3-8(6-12)5-9(10)13-7/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 115096299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).