ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H18N4O2 — CID 705218

IUPACethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O2/c1-2-26-20(25)16-17-19(23-15-11-7-6-10-14(15)22-17)24(18(16)21)12-13-8-4-3-5-9-13/h3-11H,2,12,21H2,1H3
InChIKeyAVSYRGUXUGNSSJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds4

About ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate

ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 705218) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID705218
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Nameethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
InChIInChI=1S/C20H18N4O2/c1-2-26-20(25)16-17-19(23-15-11-7-6-10-14(15)22-17)24(18(16)21)12-13-8-4-3-5-9-13/h3-11H,2,12,21H2,1H3
InChIKeyAVSYRGUXUGNSSJ-UHFFFAOYSA-N
XLogP3.39
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 705218) is ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate is CCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12.
What is the InChIKey of ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is AVSYRGUXUGNSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-26-20(25)16-17-19(23-15-11-7-6-10-14(15)22-17)24(18(16)21)12-13-8-4-3-5-9-13/h3-11H,2,12,21H2,1H3.
What are the key properties of ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate?
ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-benzylpyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 705218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).