2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide

C12H11N5O — CID 144930615

IUPAC2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCn1c(N)c(C(N)=O)c2nc3ccccc3nc21
InChIInChI=1S/C12H11N5O/c1-17-10(13)8(11(14)18)9-12(17)16-7-5-3-2-4-6(7)15-9/h2-5H,13H2,1H3,(H2,14,18)
InChIKeyMDQVTRGURJIQBK-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.80
Rot. Bonds1

About 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide

2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide (PubChem CID 144930615) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
PubChem CID144930615
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide
SMILESCn1c(N)c(C(N)=O)c2nc3ccccc3nc21
InChIInChI=1S/C12H11N5O/c1-17-10(13)8(11(14)18)9-12(17)16-7-5-3-2-4-6(7)15-9/h2-5H,13H2,1H3,(H2,14,18)
InChIKeyMDQVTRGURJIQBK-UHFFFAOYSA-N
XLogP0.80
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The IUPAC name of 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide (CID 144930615) is 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide.
What is the SMILES notation for 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The canonical SMILES for 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide is Cn1c(N)c(C(N)=O)c2nc3ccccc3nc21.
What is the InChIKey of 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
The InChIKey is MDQVTRGURJIQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-17-10(13)8(11(14)18)9-12(17)16-7-5-3-2-4-6(7)15-9/h2-5H,13H2,1H3,(H2,14,18).
What are the key properties of 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide?
2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methylpyrrolo[3,2-b]quinoxaline-3-carboxamide is sourced from PubChem (CID 144930615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).