formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone

C18H24N4O5 — CID 71786023

IUPACformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone
SMILESCN(CCO)CC1COCCN1C(=O)c1cnc2ccccc2n1.O=CO
InChIInChI=1S/C17H22N4O3.CH2O2/c1-20(6-8-22)11-13-12-24-9-7-21(13)17(23)16-10-18-14-4-2-3-5-15(14)19-16;2-1-3/h2-5,10,13,22H,6-9,11-12H2,1H3;1H,(H,2,3)
InChIKeyPISCTKHBYWPDCY-UHFFFAOYSA-N
MW376.41 g/mol
LogP0.10
Rot. Bonds5

About formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone

formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone (PubChem CID 71786023) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Nameformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone
PubChem CID71786023
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nameformic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone
SMILESCN(CCO)CC1COCCN1C(=O)c1cnc2ccccc2n1.O=CO
InChIInChI=1S/C17H22N4O3.CH2O2/c1-20(6-8-22)11-13-12-24-9-7-21(13)17(23)16-10-18-14-4-2-3-5-15(14)19-16;2-1-3/h2-5,10,13,22H,6-9,11-12H2,1H3;1H,(H,2,3)
InChIKeyPISCTKHBYWPDCY-UHFFFAOYSA-N
XLogP0.10
TPSA116.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone (CID 71786023) is formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone is CN(CCO)CC1COCCN1C(=O)c1cnc2ccccc2n1.O=CO.
What is the InChIKey of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone?
The InChIKey is PISCTKHBYWPDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3.CH2O2/c1-20(6-8-22)11-13-12-24-9-7-21(13)17(23)16-10-18-14-4-2-3-5-15(14)19-16;2-1-3/h2-5,10,13,22H,6-9,11-12H2,1H3;1H,(H,2,3).
What are the key properties of formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone?
formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone has a molecular weight of 376.41 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 71786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).