6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium

C20H19N2O2Y- — CID 58700436

IUPAC6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium
SMILESCC=CC(C)Oc1ccc(Oc2cnc3ccc(C)[c-]c3n2)cc1.[Y]
InChIInChI=1S/C20H19N2O2.Y/c1-4-5-15(3)23-16-7-9-17(10-8-16)24-20-13-21-18-11-6-14(2)12-19(18)22-20;/h4-11,13,15H,1-3H3;/q-1;
InChIKeyXSIJSMVVFSMLKV-UHFFFAOYSA-N
MW408.29 g/mol
LogP4.87
Rot. Bonds5

About 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium

6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium (PubChem CID 58700436) has the molecular formula C20H19N2O2Y- and a molecular weight of 408.29 g/mol. Its IUPAC name is 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium.

Molecular Properties

Compound Name6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium
PubChem CID58700436
Molecular FormulaC20H19N2O2Y-
Molecular Weight408.29 g/mol
Exact Mass408.05
IUPAC Name6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium
SMILESCC=CC(C)Oc1ccc(Oc2cnc3ccc(C)[c-]c3n2)cc1.[Y]
InChIInChI=1S/C20H19N2O2.Y/c1-4-5-15(3)23-16-7-9-17(10-8-16)24-20-13-21-18-11-6-14(2)12-19(18)22-20;/h4-11,13,15H,1-3H3;/q-1;
InChIKeyXSIJSMVVFSMLKV-UHFFFAOYSA-N
XLogP4.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(4-(2-(Pyrrolidin-1-yl)ethoxy)phenoxy)pyrazine
CID 49805055
5-Isobutyl-3-methyl-2-phenoxypyrazine
CID 528137
3-Methyl-5-(3-methylpentyl)-2-phenoxypyrazine
CID 44327248
2-Phenoxy-5-propan-2-ylpyrazine
CID 44328027
1-[4-[3-(4-Methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821913
2-[1-(Oxan-4-yl)piperidin-4-yl]-3-phenoxypyrazine
CID 95823058
2-[1-(2-Phenoxyethyl)piperidin-4-yl]pyrazine
CID 95845210
1-[2-[6-(4-Methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110256215
2-(2-phenoxyethoxy)-3-[(E)-2-phenylethenyl]pyrazine
CID 172436217
2-(3-methoxyphenoxy)-3-[(E)-2-phenylethenyl]pyrazine
CID 172436322
2-benzhydryloxy-3-[(E)-2-phenylethenyl]pyrazine
CID 172436916
3-(4-Methoxyphenoxy)pyrazine-2-carbonitrile
CID 2822050

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium?
The IUPAC name of 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium (CID 58700436) is 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium.
What is the SMILES notation for 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium?
The canonical SMILES for 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium is CC=CC(C)Oc1ccc(Oc2cnc3ccc(C)[c-]c3n2)cc1.[Y].
What is the InChIKey of 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium?
The InChIKey is XSIJSMVVFSMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N2O2.Y/c1-4-5-15(3)23-16-7-9-17(10-8-16)24-20-13-21-18-11-6-14(2)12-19(18)22-20;/h4-11,13,15H,1-3H3;/q-1;.
What are the key properties of 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium?
6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium has a molecular weight of 408.29 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(4-pent-3-en-2-yloxyphenoxy)-5H-quinoxalin-5-ide;yttrium is sourced from PubChem (CID 58700436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).