propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C21H20N4O3 — CID 2005816

IUPACpropyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O3/c1-3-12-28-21(26)17-18-20(24-16-7-5-4-6-15(16)23-18)25(19(17)22)13-8-10-14(27-2)11-9-13/h4-11H,3,12,22H2,1-2H3
InChIKeyGZCZBXILJKPTSN-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.73
Rot. Bonds5

About propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 2005816) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namepropyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID2005816
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namepropyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12
InChIInChI=1S/C21H20N4O3/c1-3-12-28-21(26)17-18-20(24-16-7-5-4-6-15(16)23-18)25(19(17)22)13-8-10-14(27-2)11-9-13/h4-11H,3,12,22H2,1-2H3
InChIKeyGZCZBXILJKPTSN-UHFFFAOYSA-N
XLogP3.73
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[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 propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 2005816) is propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc12.
What is the InChIKey of propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is GZCZBXILJKPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-12-28-21(26)17-18-20(24-16-7-5-4-6-15(16)23-18)25(19(17)22)13-8-10-14(27-2)11-9-13/h4-11H,3,12,22H2,1-2H3.
What are the key properties of propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-1-(4-methoxyphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 2005816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).