8-amino-4-methyl-1,3-dihydroquinoxalin-2-one

C9H11N3O — CID 68704055

IUPAC8-amino-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2c(N)cccc21
InChIInChI=1S/C9H11N3O/c1-12-5-8(13)11-9-6(10)3-2-4-7(9)12/h2-4H,5,10H2,1H3,(H,11,13)
InChIKeyHQWLHYFBGVTAMO-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.66
Rot. Bonds

About 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one

8-amino-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 68704055) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-amino-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID68704055
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name8-amino-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2c(N)cccc21
InChIInChI=1S/C9H11N3O/c1-12-5-8(13)11-9-6(10)3-2-4-7(9)12/h2-4H,5,10H2,1H3,(H,11,13)
InChIKeyHQWLHYFBGVTAMO-UHFFFAOYSA-N
XLogP0.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one (CID 68704055) is 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one is CN1CC(=O)Nc2c(N)cccc21.
What is the InChIKey of 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is HQWLHYFBGVTAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-5-8(13)11-9-6(10)3-2-4-7(9)12/h2-4H,5,10H2,1H3,(H,11,13).
What are the key properties of 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one?
8-amino-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 68704055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).