2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline

C22H23N3O — CID 138809132

IUPAC2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1cccc(-c3cnc4ccccc4n3)c1)C2
InChIInChI=1S/C22H23N3O/c1-25-16-9-10-17(25)13-19(12-16)26-18-6-4-5-15(11-18)22-14-23-20-7-2-3-8-21(20)24-22/h2-8,11,14,16-17,19H,9-10,12-13H2,1H3/t16-,17+,19?
InChIKeyFZAVJBPKFBJLKM-JJTKIYQPSA-N
MW345.45 g/mol
LogP4.30
Rot. Bonds3

About 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline

2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline (PubChem CID 138809132) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline.

Molecular Properties

Compound Name2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline
PubChem CID138809132
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline
SMILESCN1[C@@H]2CC[C@H]1CC(Oc1cccc(-c3cnc4ccccc4n3)c1)C2
InChIInChI=1S/C22H23N3O/c1-25-16-9-10-17(25)13-19(12-16)26-18-6-4-5-15(11-18)22-14-23-20-7-2-3-8-21(20)24-22/h2-8,11,14,16-17,19H,9-10,12-13H2,1H3/t16-,17+,19?
InChIKeyFZAVJBPKFBJLKM-JJTKIYQPSA-N
XLogP4.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,5S)-8-methyl-3-phenoxy-8-azabicyclo[3.2.1]octane
CID 21116177
[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
CID 68709089
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-methyl-8-azabicyclo[3.2.1]octane
CID 66933157
2-(3,5-dimethoxyphenyl)quinoxaline
CID 102112241
6-[5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]pyrazin-2-yl]-1H-indole
CID 25068504
2-[3-(pyridin-4-ylmethoxy)phenyl]quinoxaline
CID 138808875
6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 23728803
2-(3-pyrrolidin-1-ylphenyl)quinoxaline
CID 168513067
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
8-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]quinoline
CID 141148841
(1R,5S)-3-(3,4-dichlorophenoxy)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 11616396
N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500933

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline?
The IUPAC name of 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline (CID 138809132) is 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline.
What is the SMILES notation for 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline?
The canonical SMILES for 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline is CN1[C@@H]2CC[C@H]1CC(Oc1cccc(-c3cnc4ccccc4n3)c1)C2.
What is the InChIKey of 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline?
The InChIKey is FZAVJBPKFBJLKM-JJTKIYQPSA-N. The full InChI is InChI=1S/C22H23N3O/c1-25-16-9-10-17(25)13-19(12-16)26-18-6-4-5-15(11-18)22-14-23-20-7-2-3-8-21(20)24-22/h2-8,11,14,16-17,19H,9-10,12-13H2,1H3/t16-,17+,19?.
What are the key properties of 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline?
2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline has a molecular weight of 345.45 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]quinoxaline is sourced from PubChem (CID 138809132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).