(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone

C21H20N4O2 — CID 121195478

IUPAC(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C21H20N4O2/c26-21(14-4-7-18-19(11-14)23-10-9-22-18)25-15-5-6-16(25)13-17(12-15)27-20-3-1-2-8-24-20/h1-4,7-11,15-17H,5-6,12-13H2
InChIKeySTKUZEAPGXAICD-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.24
Rot. Bonds3

About (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone

(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone (PubChem CID 121195478) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
PubChem CID121195478
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C21H20N4O2/c26-21(14-4-7-18-19(11-14)23-10-9-22-18)25-15-5-6-16(25)13-17(12-15)27-20-3-1-2-8-24-20/h1-4,7-11,15-17H,5-6,12-13H2
InChIKeySTKUZEAPGXAICD-UHFFFAOYSA-N
XLogP3.24
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
1,3-benzodioxol-5-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195310
(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121022249
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
(4-bromothiophen-2-yl)-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357904
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 121195347
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
oxolan-2-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195431
1-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pent-4-en-1-one
CID 121195266
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195501

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone?
The IUPAC name of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone (CID 121195478) is (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone.
What is the SMILES notation for (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone?
The canonical SMILES for (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone?
The InChIKey is STKUZEAPGXAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-21(14-4-7-18-19(11-14)23-10-9-22-18)25-15-5-6-16(25)13-17(12-15)27-20-3-1-2-8-24-20/h1-4,7-11,15-17H,5-6,12-13H2.
What are the key properties of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone?
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone is sourced from PubChem (CID 121195478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).