methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

C14H15N5O2 — CID 937953

IUPACmethyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(CCN)c2nc3ccccc3nc12
InChIInChI=1S/C14H15N5O2/c1-21-14(20)10-11-13(19(7-6-15)12(10)16)18-9-5-3-2-4-8(9)17-11/h2-5H,6-7,15-16H2,1H3
InChIKeyOQNYPTNVKWCACT-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.91
Rot. Bonds3

About methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (PubChem CID 937953) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
PubChem CID937953
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Namemethyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
SMILESCOC(=O)c1c(N)n(CCN)c2nc3ccccc3nc12
InChIInChI=1S/C14H15N5O2/c1-21-14(20)10-11-13(19(7-6-15)12(10)16)18-9-5-3-2-4-8(9)17-11/h2-5H,6-7,15-16H2,1H3
InChIKeyOQNYPTNVKWCACT-UHFFFAOYSA-N
XLogP0.91
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The IUPAC name of methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate (CID 937953) is methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate.
What is the SMILES notation for methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The canonical SMILES for methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is COC(=O)c1c(N)n(CCN)c2nc3ccccc3nc12.
What is the InChIKey of methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
The InChIKey is OQNYPTNVKWCACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-21-14(20)10-11-13(19(7-6-15)12(10)16)18-9-5-3-2-4-8(9)17-11/h2-5H,6-7,15-16H2,1H3.
What are the key properties of methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate?
methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate has a molecular weight of 285.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-1-(2-aminoethyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate is sourced from PubChem (CID 937953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).