3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline

C17H24N2O — CID 115318601

IUPAC3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24N2O/c1-13-12-18-15-5-2-3-6-16(15)19(13)14-7-10-20-17(11-14)8-4-9-17/h2-3,5-6,13-14,18H,4,7-12H2,1H3
InChIKeyWEQBZPDKQHNHNO-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.41
Rot. Bonds1

About 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline

3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline (PubChem CID 115318601) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline
PubChem CID115318601
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline
SMILESCC1CNc2ccccc2N1C1CCOC2(CCC2)C1
InChIInChI=1S/C17H24N2O/c1-13-12-18-15-5-2-3-6-16(15)19(13)14-7-10-20-17(11-14)8-4-9-17/h2-3,5-6,13-14,18H,4,7-12H2,1H3
InChIKeyWEQBZPDKQHNHNO-UHFFFAOYSA-N
XLogP3.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline (CID 115318601) is 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline is CC1CNc2ccccc2N1C1CCOC2(CCC2)C1.
What is the InChIKey of 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline?
The InChIKey is WEQBZPDKQHNHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13-12-18-15-5-2-3-6-16(15)19(13)14-7-10-20-17(11-14)8-4-9-17/h2-3,5-6,13-14,18H,4,7-12H2,1H3.
What are the key properties of 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline?
3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline has a molecular weight of 272.39 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).