6-methoxy-1,2,3,4-tetrahydroquinoxaline

C9H12N2O — CID 12549514

IUPAC6-methoxy-1,2,3,4-tetrahydroquinoxaline
SMILESCOc1ccc2c(c1)NCCN2
InChIInChI=1S/C9H12N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10-11H,4-5H2,1H3
InChIKeySXRFQDARJDXESM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.53
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydroquinoxaline

6-methoxy-1,2,3,4-tetrahydroquinoxaline (PubChem CID 12549514) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroquinoxaline
PubChem CID12549514
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name6-methoxy-1,2,3,4-tetrahydroquinoxaline
SMILESCOc1ccc2c(c1)NCCN2
InChIInChI=1S/C9H12N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10-11H,4-5H2,1H3
InChIKeySXRFQDARJDXESM-UHFFFAOYSA-N
XLogP1.53
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxy-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinoxaline (CID 12549514) is 6-methoxy-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroquinoxaline is COc1ccc2c(c1)NCCN2.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is SXRFQDARJDXESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-12-7-2-3-8-9(6-7)11-5-4-10-8/h2-3,6,10-11H,4-5H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroquinoxaline?
6-methoxy-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 164.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 12549514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).