ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate

C14H18N2O4 — CID 82774900

IUPACethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
SMILESCCOC(=O)CC(O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)7-10(17)8-16-9-13(18)15-11-5-3-4-6-12(11)16/h3-6,10,17H,2,7-9H2,1H3,(H,15,18)
InChIKeyJAUUZJWJZUTGNH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.76
Rot. Bonds5

About ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate

ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate (PubChem CID 82774900) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
PubChem CID82774900
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
SMILESCCOC(=O)CC(O)CN1CC(=O)Nc2ccccc21
InChIInChI=1S/C14H18N2O4/c1-2-20-14(19)7-10(17)8-16-9-13(18)15-11-5-3-4-6-12(11)16/h3-6,10,17H,2,7-9H2,1H3,(H,15,18)
InChIKeyJAUUZJWJZUTGNH-UHFFFAOYSA-N
XLogP0.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate (CID 82774900) is ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate is CCOC(=O)CC(O)CN1CC(=O)Nc2ccccc21.
What is the InChIKey of ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate?
The InChIKey is JAUUZJWJZUTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-2-20-14(19)7-10(17)8-16-9-13(18)15-11-5-3-4-6-12(11)16/h3-6,10,17H,2,7-9H2,1H3,(H,15,18).
What are the key properties of ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate?
ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate has a molecular weight of 278.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate is sourced from PubChem (CID 82774900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).