ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C19H17N5O2 — CID 2309558

IUPACethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(Cc2ccccn2)c2nc3ccccc3nc12
InChIInChI=1S/C19H17N5O2/c1-2-26-19(25)15-16-18(23-14-9-4-3-8-13(14)22-16)24(17(15)20)11-12-7-5-6-10-21-12/h3-10H,2,11,20H2,1H3
InChIKeyOGUVDWJOFXIZDZ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.79
Rot. Bonds4

About ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2309558) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2309558
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Nameethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(Cc2ccccn2)c2nc3ccccc3nc12
InChIInChI=1S/C19H17N5O2/c1-2-26-19(25)15-16-18(23-14-9-4-3-8-13(14)22-16)24(17(15)20)11-12-7-5-6-10-21-12/h3-10H,2,11,20H2,1H3
InChIKeyOGUVDWJOFXIZDZ-UHFFFAOYSA-N
XLogP2.79
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2309558) is ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(Cc2ccccn2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is OGUVDWJOFXIZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-26-19(25)15-16-18(23-14-9-4-3-8-13(14)22-16)24(17(15)20)11-12-7-5-6-10-21-12/h3-10H,2,11,20H2,1H3.
What are the key properties of ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2309558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).