tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C20H20N4O3 — CID 661750

IUPACtert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
InChIInChI=1S/C20H20N4O3/c1-20(2,3)27-19(25)15-16-18(23-14-9-5-4-8-13(14)22-16)24(17(15)21)11-12-7-6-10-26-12/h4-10H,11,21H2,1-3H3
InChIKeyDKQYEQBUEUPXIP-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.76
Rot. Bonds3

About tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 661750) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID661750
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nametert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
InChIInChI=1S/C20H20N4O3/c1-20(2,3)27-19(25)15-16-18(23-14-9-5-4-8-13(14)22-16)24(17(15)21)11-12-7-6-10-26-12/h4-10H,11,21H2,1-3H3
InChIKeyDKQYEQBUEUPXIP-UHFFFAOYSA-N
XLogP3.76
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-amino-1-(furan-2-ylmethyl)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 tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 661750) is tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is CC(C)(C)OC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12.
What is the InChIKey of tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is DKQYEQBUEUPXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(2,3)27-19(25)15-16-18(23-14-9-5-4-8-13(14)22-16)24(17(15)21)11-12-7-6-10-26-12/h4-10H,11,21H2,1-3H3.
What are the key properties of tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-1-(furan-2-ylmethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 661750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).