2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline

C12H13N3O4 — CID 10890702

IUPAC2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline
SMILESCOc1nc2cc([N+](=O)[O-])c(C)c(C)c2nc1OC
InChIInChI=1S/C12H13N3O4/c1-6-7(2)10-8(5-9(6)15(16)17)13-11(18-3)12(14-10)19-4/h5H,1-4H3
InChIKeyVWIVBNPDCFQKSA-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.17
Rot. Bonds3

About 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline

2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline (PubChem CID 10890702) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline.

Molecular Properties

Compound Name2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline
PubChem CID10890702
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline
SMILESCOc1nc2cc([N+](=O)[O-])c(C)c(C)c2nc1OC
InChIInChI=1S/C12H13N3O4/c1-6-7(2)10-8(5-9(6)15(16)17)13-11(18-3)12(14-10)19-4/h5H,1-4H3
InChIKeyVWIVBNPDCFQKSA-UHFFFAOYSA-N
XLogP2.17
TPSA87.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline?
The IUPAC name of 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline (CID 10890702) is 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline.
What is the SMILES notation for 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline?
The canonical SMILES for 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline is COc1nc2cc([N+](=O)[O-])c(C)c(C)c2nc1OC.
What is the InChIKey of 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline?
The InChIKey is VWIVBNPDCFQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c1-6-7(2)10-8(5-9(6)15(16)17)13-11(18-3)12(14-10)19-4/h5H,1-4H3.
What are the key properties of 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline?
2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline has a molecular weight of 263.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5,6-dimethyl-7-nitroquinoxaline is sourced from PubChem (CID 10890702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).