3-amino-6-methyl-3H-quinoxalin-2-one

C9H9N3O — CID 76851207

IUPAC3-amino-6-methyl-3H-quinoxalin-2-one
SMILESCc1ccc2c(c1)=NC(N)C(=O)N=2
InChIInChI=1S/C9H9N3O/c1-5-2-3-6-7(4-5)11-8(10)9(13)12-6/h2-4,8H,10H2,1H3
InChIKeyLVVPYEQLUBQPDI-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.94
Rot. Bonds

About 3-amino-6-methyl-3H-quinoxalin-2-one

3-amino-6-methyl-3H-quinoxalin-2-one (PubChem CID 76851207) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-amino-6-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-3H-quinoxalin-2-one
PubChem CID76851207
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name3-amino-6-methyl-3H-quinoxalin-2-one
SMILESCc1ccc2c(c1)=NC(N)C(=O)N=2
InChIInChI=1S/C9H9N3O/c1-5-2-3-6-7(4-5)11-8(10)9(13)12-6/h2-4,8H,10H2,1H3
InChIKeyLVVPYEQLUBQPDI-UHFFFAOYSA-N
XLogP-0.94
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-3H-quinoxalin-2-one?
The IUPAC name of 3-amino-6-methyl-3H-quinoxalin-2-one (CID 76851207) is 3-amino-6-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 3-amino-6-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 3-amino-6-methyl-3H-quinoxalin-2-one is Cc1ccc2c(c1)=NC(N)C(=O)N=2.
What is the InChIKey of 3-amino-6-methyl-3H-quinoxalin-2-one?
The InChIKey is LVVPYEQLUBQPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-2-3-6-7(4-5)11-8(10)9(13)12-6/h2-4,8H,10H2,1H3.
What are the key properties of 3-amino-6-methyl-3H-quinoxalin-2-one?
3-amino-6-methyl-3H-quinoxalin-2-one has a molecular weight of 175.19 g/mol, XLogP of -0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 76851207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).