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

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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).