2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline

C14H15N3 — CID 146041854

IUPAC2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline
SMILESc1ccc2nc(N3C[C@H]4CC[C@H]3C4)cnc2c1
InChIInChI=1S/C14H15N3/c1-2-4-13-12(3-1)15-8-14(16-13)17-9-10-5-6-11(17)7-10/h1-4,8,10-11H,5-7,9H2/t10-,11-/m0/s1
InChIKeyGESFUUKJGJLBFA-QWRGUYRKSA-N
MW225.30 g/mol
LogP2.62
Rot. Bonds1

About 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline

2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline (PubChem CID 146041854) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline
PubChem CID146041854
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline
SMILESc1ccc2nc(N3C[C@H]4CC[C@H]3C4)cnc2c1
InChIInChI=1S/C14H15N3/c1-2-4-13-12(3-1)15-8-14(16-13)17-9-10-5-6-11(17)7-10/h1-4,8,10-11H,5-7,9H2/t10-,11-/m0/s1
InChIKeyGESFUUKJGJLBFA-QWRGUYRKSA-N
XLogP2.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]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

2-(4-cyclopropyl-2-methylpiperazin-1-yl)quinoxaline
CID 162634693
2,3-bis[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]pyrido[2,3-b]pyrazine
CID 98787854
(1S,4R)-2-[5-(trifluoromethyl)pyrazin-2-yl]-2-azabicyclo[2.2.1]heptane
CID 144513339
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]quinoxaline
CID 114042518
(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 162638010
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
CID 80805656
2-[(1R,5R)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]quinoxaline
CID 70707913
[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methanol
CID 106768108
(1R,4S)-2-(4-pyrimidin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane
CID 70792646
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]quinoxaline
CID 98763151
2-(2-azabicyclo[2.2.1]heptan-2-yl)phenol
CID 84771208
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643977

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline?
The IUPAC name of 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline (CID 146041854) is 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline.
What is the SMILES notation for 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline?
The canonical SMILES for 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline is c1ccc2nc(N3C[C@H]4CC[C@H]3C4)cnc2c1.
What is the InChIKey of 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline?
The InChIKey is GESFUUKJGJLBFA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-4-13-12(3-1)15-8-14(16-13)17-9-10-5-6-11(17)7-10/h1-4,8,10-11H,5-7,9H2/t10-,11-/m0/s1.
What are the key properties of 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline?
2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline has a molecular weight of 225.30 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]quinoxaline is sourced from PubChem (CID 146041854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).