6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid

C11H12N2O4 — CID 151217797

IUPAC6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid
SMILESCOc1cc2c(cc1OC)NCC(C(=O)O)=N2
InChIInChI=1S/C11H12N2O4/c1-16-9-3-6-7(4-10(9)17-2)13-8(5-12-6)11(14)15/h3-4,12H,5H2,1-2H3,(H,14,15)
InChIKeyNLPYKCBEZPVCSW-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.29
Rot. Bonds3

About 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid

6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid (PubChem CID 151217797) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid
PubChem CID151217797
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid
SMILESCOc1cc2c(cc1OC)NCC(C(=O)O)=N2
InChIInChI=1S/C11H12N2O4/c1-16-9-3-6-7(4-10(9)17-2)13-8(5-12-6)11(14)15/h3-4,12H,5H2,1-2H3,(H,14,15)
InChIKeyNLPYKCBEZPVCSW-UHFFFAOYSA-N
XLogP1.29
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-3,4-dihydroquinoxaline-2-carboxylic acid?
The IUPAC name of 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid (CID 151217797) is 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid.
What is the SMILES notation for 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid?
The canonical SMILES for 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid is COc1cc2c(cc1OC)NCC(C(=O)O)=N2.
What is the InChIKey of 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid?
The InChIKey is NLPYKCBEZPVCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-16-9-3-6-7(4-10(9)17-2)13-8(5-12-6)11(14)15/h3-4,12H,5H2,1-2H3,(H,14,15).
What are the key properties of 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid?
6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3,4-dihydroquinoxaline-2-carboxylic acid is sourced from PubChem (CID 151217797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).