3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid

C10H10N2O4 — CID 91566156

IUPAC3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)NCCN2C(=O)O
InChIInChI=1S/C10H10N2O4/c13-9(14)6-1-2-8-7(5-6)11-3-4-12(8)10(15)16/h1-2,5,11H,3-4H2,(H,13,14)(H,15,16)
InChIKeyVKPVIEAORXNXIG-UHFFFAOYSA-N
MW222.20 g/mol
LogP1.29
Rot. Bonds1

About 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid

3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid (PubChem CID 91566156) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid.

Molecular Properties

Compound Name3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
PubChem CID91566156
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)NCCN2C(=O)O
InChIInChI=1S/C10H10N2O4/c13-9(14)6-1-2-8-7(5-6)11-3-4-12(8)10(15)16/h1-2,5,11H,3-4H2,(H,13,14)(H,15,16)
InChIKeyVKPVIEAORXNXIG-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-oxobutyl)-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117031268
1-benzyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117006991
1-(cyanomethyl)-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 117031262
4-tert-butyl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117006556
tert-butyl 6-tert-butyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84643816
(4S)-4-methyl-3,4-dihydro-2H-quinoline-1,6-dicarboxylic acid
CID 135388233
5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
CID 83820018
1-cyclopropyl-2-methyl-3,4-dihydro-2H-quinoxaline-6-carboxylic acid
CID 83840875
4-(2-aminopropyl)-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030646
4-piperidin-4-yl-2,3-dihydro-1H-quinoxaline-6-carboxylic acid
CID 117030660
1-(2-carboxyethyl)-2-oxo-3,4-dihydroquinoxaline-6-carboxylic acid
CID 117031163
1-(1-methyl-2,3,4,5-tetrahydro-1,5-benzodiazepin-7-yl)ethanone
CID 83832569

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid?
The IUPAC name of 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid (CID 91566156) is 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid.
What is the SMILES notation for 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid?
The canonical SMILES for 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid is O=C(O)c1ccc2c(c1)NCCN2C(=O)O.
What is the InChIKey of 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid?
The InChIKey is VKPVIEAORXNXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4/c13-9(14)6-1-2-8-7(5-6)11-3-4-12(8)10(15)16/h1-2,5,11H,3-4H2,(H,13,14)(H,15,16).
What are the key properties of 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid?
3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid has a molecular weight of 222.20 g/mol, XLogP of 1.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinoxaline-1,6-dicarboxylic acid is sourced from PubChem (CID 91566156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).