benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C21H20N4O3 — CID 662561

IUPACbenzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C21H20N4O3/c1-27-12-11-25-19(22)17(21(26)28-13-14-7-3-2-4-8-14)18-20(25)24-16-10-6-5-9-15(16)23-18/h2-10H,11-13,22H2,1H3
InChIKeyWQZACISPMLLFNS-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.17
Rot. Bonds6

About benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 662561) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID662561
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Namebenzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21
InChIInChI=1S/C21H20N4O3/c1-27-12-11-25-19(22)17(21(26)28-13-14-7-3-2-4-8-14)18-20(25)24-16-10-6-5-9-15(16)23-18/h2-10H,11-13,22H2,1H3
InChIKeyWQZACISPMLLFNS-UHFFFAOYSA-N
XLogP3.17
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 662561) is benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21.
What is the InChIKey of benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is WQZACISPMLLFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-27-12-11-25-19(22)17(21(26)28-13-14-7-3-2-4-8-14)18-20(25)24-16-10-6-5-9-15(16)23-18/h2-10H,11-13,22H2,1H3.
What are the key properties of benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 376.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-1-(2-methoxyethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 662561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).