2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one

C11H11N5O — CID 14811886

IUPAC2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one
SMILESCc1nc2c(ccc3c2nc(N)n3C)[nH]c1=O
InChIInChI=1S/C11H11N5O/c1-5-10(17)14-6-3-4-7-9(8(6)13-5)15-11(12)16(7)2/h3-4H,1-2H3,(H2,12,15)(H,14,17)
InChIKeyXFSNTGIMIDFEBY-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.70
Rot. Bonds

About 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one

2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one (PubChem CID 14811886) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one.

Molecular Properties

Compound Name2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one
PubChem CID14811886
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one
SMILESCc1nc2c(ccc3c2nc(N)n3C)[nH]c1=O
InChIInChI=1S/C11H11N5O/c1-5-10(17)14-6-3-4-7-9(8(6)13-5)15-11(12)16(7)2/h3-4H,1-2H3,(H2,12,15)(H,14,17)
InChIKeyXFSNTGIMIDFEBY-UHFFFAOYSA-N
XLogP0.70
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one?
The IUPAC name of 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one (CID 14811886) is 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one.
What is the SMILES notation for 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one?
The canonical SMILES for 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one is Cc1nc2c(ccc3c2nc(N)n3C)[nH]c1=O.
What is the InChIKey of 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one?
The InChIKey is XFSNTGIMIDFEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c1-5-10(17)14-6-3-4-7-9(8(6)13-5)15-11(12)16(7)2/h3-4H,1-2H3,(H2,12,15)(H,14,17).
What are the key properties of 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one?
2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one has a molecular weight of 229.24 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,8-dimethyl-6H-imidazo[4,5-f]quinoxalin-7-one is sourced from PubChem (CID 14811886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).