2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine

C18H18N4O — CID 164624556

IUPAC2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1C1Nc2ccccc2-n2cccc21
InChIInChI=1S/C18H18N4O/c19-9-12-23-18-13(5-3-10-20-18)17-16-8-4-11-22(16)15-7-2-1-6-14(15)21-17/h1-8,10-11,17,21H,9,12,19H2
InChIKeyDAMWPGYTHHLISY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.72
Rot. Bonds4

About 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine

2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine (PubChem CID 164624556) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine
PubChem CID164624556
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine
SMILESNCCOc1ncccc1C1Nc2ccccc2-n2cccc21
InChIInChI=1S/C18H18N4O/c19-9-12-23-18-13(5-3-10-20-18)17-16-8-4-11-22(16)15-7-2-1-6-14(15)21-17/h1-8,10-11,17,21H,9,12,19H2
InChIKeyDAMWPGYTHHLISY-UHFFFAOYSA-N
XLogP2.72
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine?
The IUPAC name of 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine (CID 164624556) is 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine is NCCOc1ncccc1C1Nc2ccccc2-n2cccc21.
What is the InChIKey of 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine?
The InChIKey is DAMWPGYTHHLISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-9-12-23-18-13(5-3-10-20-18)17-16-8-4-11-22(16)15-7-2-1-6-14(15)21-17/h1-8,10-11,17,21H,9,12,19H2.
What are the key properties of 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine?
2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine has a molecular weight of 306.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4,5-dihydropyrrolo[1,2-a]quinoxalin-4-yl)-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 164624556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).