4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene

C18H21N3O — CID 137343373

IUPAC4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CCN(c3cnc4ccccc4n3)CC2)OCC1
InChIInChI=1S/C18H21N3O/c1-14-6-11-22-18(12-14)7-9-21(10-8-18)17-13-19-15-4-2-3-5-16(15)20-17/h2-5,12-13H,6-11H2,1H3
InChIKeyRCGITRIGZBKNKM-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.34
Rot. Bonds1

About 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene

4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene (PubChem CID 137343373) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene.

Molecular Properties

Compound Name4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene
PubChem CID137343373
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene
SMILESCC1=CC2(CCN(c3cnc4ccccc4n3)CC2)OCC1
InChIInChI=1S/C18H21N3O/c1-14-6-11-22-18(12-14)7-9-21(10-8-18)17-13-19-15-4-2-3-5-16(15)20-17/h2-5,12-13H,6-11H2,1H3
InChIKeyRCGITRIGZBKNKM-UHFFFAOYSA-N
XLogP3.34
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene?
The IUPAC name of 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene (CID 137343373) is 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene.
What is the SMILES notation for 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene?
The canonical SMILES for 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene is CC1=CC2(CCN(c3cnc4ccccc4n3)CC2)OCC1.
What is the InChIKey of 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene?
The InChIKey is RCGITRIGZBKNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-14-6-11-22-18(12-14)7-9-21(10-8-18)17-13-19-15-4-2-3-5-16(15)20-17/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene?
4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene has a molecular weight of 295.39 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-quinoxalin-2-yl-1-oxa-9-azaspiro[5.5]undec-4-ene is sourced from PubChem (CID 137343373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).