2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid

C11H14N2O2 — CID 142774277

IUPAC2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILESCCC1CNc2ccccc2N1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-2-8-7-12-9-5-3-4-6-10(9)13(8)11(14)15/h3-6,8,12H,2,7H2,1H3,(H,14,15)
InChIKeyXBRVGXIAWRCGDY-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.38
Rot. Bonds1

About 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid

2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (PubChem CID 142774277) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
PubChem CID142774277
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
SMILESCCC1CNc2ccccc2N1C(=O)O
InChIInChI=1S/C11H14N2O2/c1-2-8-7-12-9-5-3-4-6-10(9)13(8)11(14)15/h3-6,8,12H,2,7H2,1H3,(H,14,15)
InChIKeyXBRVGXIAWRCGDY-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 174810540
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
CID 154574825
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
3-ethyl-4-(pyridin-3-ylmethyl)-2,3-dihydro-1H-quinoxaline
CID 82156838
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
2-chloro-1-[2-[(Z)-1-methoxyprop-1-enyl]-3,4-dihydro-2H-quinoxalin-1-yl]ethanone;molecular hydrogen
CID 145328642
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide
CID 170439364
3-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]pentan-3-ol
CID 114496646
3-ethyl-4-methyl-5-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623218
2-(3,4-dihydro-2H-quinoxalin-1-yl)-N-ethyl-N-phenylacetamide
CID 83510562

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The IUPAC name of 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid (CID 142774277) is 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid.
What is the SMILES notation for 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The canonical SMILES for 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid is CCC1CNc2ccccc2N1C(=O)O.
What is the InChIKey of 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
The InChIKey is XBRVGXIAWRCGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-8-7-12-9-5-3-4-6-10(9)13(8)11(14)15/h3-6,8,12H,2,7H2,1H3,(H,14,15).
What are the key properties of 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid?
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid is sourced from PubChem (CID 142774277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).