6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline

C11H16N2O2 — CID 79014891

IUPAC6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESCOc1cc2c(cc1OC)NC(C)CN2
InChIInChI=1S/C11H16N2O2/c1-7-6-12-8-4-10(14-2)11(15-3)5-9(8)13-7/h4-5,7,12-13H,6H2,1-3H3
InChIKeyIMOIQSFDGRIFND-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.93
Rot. Bonds2

About 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline

6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline (PubChem CID 79014891) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
PubChem CID79014891
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline
SMILESCOc1cc2c(cc1OC)NC(C)CN2
InChIInChI=1S/C11H16N2O2/c1-7-6-12-8-4-10(14-2)11(15-3)5-9(8)13-7/h4-5,7,12-13H,6H2,1-3H3
InChIKeyIMOIQSFDGRIFND-UHFFFAOYSA-N
XLogP1.93
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline (CID 79014891) is 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline is COc1cc2c(cc1OC)NC(C)CN2.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is IMOIQSFDGRIFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-6-12-8-4-10(14-2)11(15-3)5-9(8)13-7/h4-5,7,12-13H,6H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline?
6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 208.26 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 79014891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).