1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol

C11H14N4O — CID 117311096

IUPAC1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc2nc(N)cnc2c1
InChIInChI=1S/C11H14N4O/c1-13-5-10(16)7-2-3-8-9(4-7)14-6-11(12)15-8/h2-4,6,10,13,16H,5H2,1H3,(H2,12,15)
InChIKeyZJDPDHIKHZPDRY-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.46
Rot. Bonds3

About 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol

1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol (PubChem CID 117311096) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol
PubChem CID117311096
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc2nc(N)cnc2c1
InChIInChI=1S/C11H14N4O/c1-13-5-10(16)7-2-3-8-9(4-7)14-6-11(12)15-8/h2-4,6,10,13,16H,5H2,1H3,(H2,12,15)
InChIKeyZJDPDHIKHZPDRY-UHFFFAOYSA-N
XLogP0.46
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol (CID 117311096) is 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol is CNCC(O)c1ccc2nc(N)cnc2c1.
What is the InChIKey of 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol?
The InChIKey is ZJDPDHIKHZPDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-13-5-10(16)7-2-3-8-9(4-7)14-6-11(12)15-8/h2-4,6,10,13,16H,5H2,1H3,(H2,12,15).
What are the key properties of 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol?
1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoquinoxalin-6-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 117311096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).