N-methyl-7-nitroquinoxalin-2-amine

C9H8N4O2 — CID 119087544

IUPACN-methyl-7-nitroquinoxalin-2-amine
SMILESCNc1cnc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C9H8N4O2/c1-10-9-5-11-7-3-2-6(13(14)15)4-8(7)12-9/h2-5H,1H3,(H,10,12)
InChIKeyPZHJDOMYFLTUJU-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.58
Rot. Bonds2

About N-methyl-7-nitroquinoxalin-2-amine

N-methyl-7-nitroquinoxalin-2-amine (PubChem CID 119087544) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is N-methyl-7-nitroquinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-7-nitroquinoxalin-2-amine
PubChem CID119087544
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC NameN-methyl-7-nitroquinoxalin-2-amine
SMILESCNc1cnc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C9H8N4O2/c1-10-9-5-11-7-3-2-6(13(14)15)4-8(7)12-9/h2-5H,1H3,(H,10,12)
InChIKeyPZHJDOMYFLTUJU-UHFFFAOYSA-N
XLogP1.58
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-nitroquinoxalin-2-amine?
The IUPAC name of N-methyl-7-nitroquinoxalin-2-amine (CID 119087544) is N-methyl-7-nitroquinoxalin-2-amine.
What is the SMILES notation for N-methyl-7-nitroquinoxalin-2-amine?
The canonical SMILES for N-methyl-7-nitroquinoxalin-2-amine is CNc1cnc2ccc([N+](=O)[O-])cc2n1.
What is the InChIKey of N-methyl-7-nitroquinoxalin-2-amine?
The InChIKey is PZHJDOMYFLTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-10-9-5-11-7-3-2-6(13(14)15)4-8(7)12-9/h2-5H,1H3,(H,10,12).
What are the key properties of N-methyl-7-nitroquinoxalin-2-amine?
N-methyl-7-nitroquinoxalin-2-amine has a molecular weight of 204.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-nitroquinoxalin-2-amine is sourced from PubChem (CID 119087544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).