(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone

C18H21N3O — CID 171942184

IUPAC(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone
SMILESCN1C2CCCC1CC(C(=O)c1cnc3ccccc3n1)C2
InChIInChI=1S/C18H21N3O/c1-21-13-5-4-6-14(21)10-12(9-13)18(22)17-11-19-15-7-2-3-8-16(15)20-17/h2-3,7-8,11-14H,4-6,9-10H2,1H3
InChIKeyXLDHQKFMDKXFJD-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.08
Rot. Bonds2

About (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone (PubChem CID 171942184) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone
PubChem CID171942184
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone
SMILESCN1C2CCCC1CC(C(=O)c1cnc3ccccc3n1)C2
InChIInChI=1S/C18H21N3O/c1-21-13-5-4-6-14(21)10-12(9-13)18(22)17-11-19-15-7-2-3-8-16(15)20-17/h2-3,7-8,11-14H,4-6,9-10H2,1H3
InChIKeyXLDHQKFMDKXFJD-UHFFFAOYSA-N
XLogP3.08
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone (CID 171942184) is (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone is CN1C2CCCC1CC(C(=O)c1cnc3ccccc3n1)C2.
What is the InChIKey of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone?
The InChIKey is XLDHQKFMDKXFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-21-13-5-4-6-14(21)10-12(9-13)18(22)17-11-19-15-7-2-3-8-16(15)20-17/h2-3,7-8,11-14H,4-6,9-10H2,1H3.
What are the key properties of (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone?
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone has a molecular weight of 295.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 171942184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).