ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate

C14H14N4O2 — CID 10890940

IUPACethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2nc3ccccc3nc21
InChIInChI=1S/C14H14N4O2/c1-3-20-12(19)8-18-14-13(9(2)17-18)15-10-6-4-5-7-11(10)16-14/h4-7H,3,8H2,1-2H3
InChIKeyUIDGCZNMKXXOQK-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.85
Rot. Bonds3

About ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate

ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate (PubChem CID 10890940) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate
PubChem CID10890940
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Nameethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate
SMILESCCOC(=O)Cn1nc(C)c2nc3ccccc3nc21
InChIInChI=1S/C14H14N4O2/c1-3-20-12(19)8-18-14-13(9(2)17-18)15-10-6-4-5-7-11(10)16-14/h4-7H,3,8H2,1-2H3
InChIKeyUIDGCZNMKXXOQK-UHFFFAOYSA-N
XLogP1.85
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate (CID 10890940) is ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate is CCOC(=O)Cn1nc(C)c2nc3ccccc3nc21.
What is the InChIKey of ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate?
The InChIKey is UIDGCZNMKXXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-20-12(19)8-18-14-13(9(2)17-18)15-10-6-4-5-7-11(10)16-14/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate?
ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate has a molecular weight of 270.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylpyrazolo[4,3-b]quinoxalin-1-yl)acetate is sourced from PubChem (CID 10890940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).