2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid

C13H16N2O4 — CID 63778022

IUPAC2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
SMILESCN1CCN(C(=O)COCC(=O)O)c2ccccc21
InChIInChI=1S/C13H16N2O4/c1-14-6-7-15(11-5-3-2-4-10(11)14)12(16)8-19-9-13(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyGTNVEZVOOGBESJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.57
Rot. Bonds4

About 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid

2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid (PubChem CID 63778022) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
PubChem CID63778022
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid
SMILESCN1CCN(C(=O)COCC(=O)O)c2ccccc21
InChIInChI=1S/C13H16N2O4/c1-14-6-7-15(11-5-3-2-4-10(11)14)12(16)8-19-9-13(17)18/h2-5H,6-9H2,1H3,(H,17,18)
InChIKeyGTNVEZVOOGBESJ-UHFFFAOYSA-N
XLogP0.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-phenoxyethanone
CID 136526912
4-hydroxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)butan-1-one
CID 79192627
2-[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethoxy]acetic acid
CID 61328223
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)-2-(2-phenylethoxy)ethanone
CID 167822126
N-methyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 89467898
2-(3-fluorophenoxy)-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 110715131
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
N-ethyl-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-oxopropanamide
CID 67472733
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107030058
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-piperazin-1-ylethanone
CID 63777523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid (CID 63778022) is 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid is CN1CCN(C(=O)COCC(=O)O)c2ccccc21.
What is the InChIKey of 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid?
The InChIKey is GTNVEZVOOGBESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14-6-7-15(11-5-3-2-4-10(11)14)12(16)8-19-9-13(17)18/h2-5H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid?
2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-2-oxoethoxy]acetic acid is sourced from PubChem (CID 63778022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).