6,7-dihydroquinoxaline-5-carboxylic acid

C9H8N2O2 — CID 70090059

IUPAC6,7-dihydroquinoxaline-5-carboxylic acid
SMILESO=C(O)C1=c2nccnc2=CCC1
InChIInChI=1S/C9H8N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h3-5H,1-2H2,(H,12,13)
InChIKeyKQVQOHNQYWBUPT-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.71
Rot. Bonds1

About 6,7-dihydroquinoxaline-5-carboxylic acid

6,7-dihydroquinoxaline-5-carboxylic acid (PubChem CID 70090059) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 6,7-dihydroquinoxaline-5-carboxylic acid.

Molecular Properties

Compound Name6,7-dihydroquinoxaline-5-carboxylic acid
PubChem CID70090059
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name6,7-dihydroquinoxaline-5-carboxylic acid
SMILESO=C(O)C1=c2nccnc2=CCC1
InChIInChI=1S/C9H8N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h3-5H,1-2H2,(H,12,13)
InChIKeyKQVQOHNQYWBUPT-UHFFFAOYSA-N
XLogP-0.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydroquinoxaline-5-carboxylic acid?
The IUPAC name of 6,7-dihydroquinoxaline-5-carboxylic acid (CID 70090059) is 6,7-dihydroquinoxaline-5-carboxylic acid.
What is the SMILES notation for 6,7-dihydroquinoxaline-5-carboxylic acid?
The canonical SMILES for 6,7-dihydroquinoxaline-5-carboxylic acid is O=C(O)C1=c2nccnc2=CCC1.
What is the InChIKey of 6,7-dihydroquinoxaline-5-carboxylic acid?
The InChIKey is KQVQOHNQYWBUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)6-2-1-3-7-8(6)11-5-4-10-7/h3-5H,1-2H2,(H,12,13).
What are the key properties of 6,7-dihydroquinoxaline-5-carboxylic acid?
6,7-dihydroquinoxaline-5-carboxylic acid has a molecular weight of 176.18 g/mol, XLogP of -0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydroquinoxaline-5-carboxylic acid is sourced from PubChem (CID 70090059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).