2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate

C11H12N2O4 — CID 79345427

IUPAC2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESO=C1CN(C(=O)OCCO)c2ccccc2N1
InChIInChI=1S/C11H12N2O4/c14-5-6-17-11(16)13-7-10(15)12-8-3-1-2-4-9(8)13/h1-4,14H,5-7H2,(H,12,15)
InChIKeyLOZAANMFCOOCMA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.57
Rot. Bonds2

About 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate

2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 79345427) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Name2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID79345427
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESO=C1CN(C(=O)OCCO)c2ccccc2N1
InChIInChI=1S/C11H12N2O4/c14-5-6-17-11(16)13-7-10(15)12-8-3-1-2-4-9(8)13/h1-4,14H,5-7H2,(H,12,15)
InChIKeyLOZAANMFCOOCMA-UHFFFAOYSA-N
XLogP0.57
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(aminomethyl)cyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 80587760
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
4-(2-nitrosoacetyl)-1,3-dihydroquinoxalin-2-one
CID 54465544
2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetohydrazide
CID 43164015
4-(2-amino-2-ethylbutanoyl)-1,3-dihydroquinoxalin-2-one
CID 79810105
4-(2,2,2-trifluoroacetyl)-1,3-dihydroquinoxalin-2-one
CID 4749914
4-(6-aminohexanoyl)-1,3-dihydroquinoxalin-2-one
CID 28822275
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-hydroxy-2,2-diphenylacetate
CID 7191513
(2S)-4-hydroxy-2-[(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)amino]butanoic acid
CID 107825982
2-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]sulfanylacetamide
CID 60734018
N-(2-aminoethyl)-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetamide
CID 43316103
4-(2-bromopropanoyl)-1,3-dihydroquinoxalin-2-one
CID 107902910

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate (CID 79345427) is 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate is O=C1CN(C(=O)OCCO)c2ccccc2N1.
What is the InChIKey of 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is LOZAANMFCOOCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-5-6-17-11(16)13-7-10(15)12-8-3-1-2-4-9(8)13/h1-4,14H,5-7H2,(H,12,15).
What are the key properties of 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 236.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-oxo-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 79345427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).