4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one

C15H24N4O — CID 102562540

IUPAC4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
SMILESCCn1nccc1CCN1CC(=O)NC2CCCCC21
InChIInChI=1S/C15H24N4O/c1-2-19-12(7-9-16-19)8-10-18-11-15(20)17-13-5-3-4-6-14(13)18/h7,9,13-14H,2-6,8,10-11H2,1H3,(H,17,20)
InChIKeyMFMCFZYAMZAUFB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.19
Rot. Bonds4

About 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one

4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (PubChem CID 102562540) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
PubChem CID102562540
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
SMILESCCn1nccc1CCN1CC(=O)NC2CCCCC21
InChIInChI=1S/C15H24N4O/c1-2-19-12(7-9-16-19)8-10-18-11-15(20)17-13-5-3-4-6-14(13)18/h7,9,13-14H,2-6,8,10-11H2,1H3,(H,17,20)
InChIKeyMFMCFZYAMZAUFB-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one (CID 102562540) is 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is CCn1nccc1CCN1CC(=O)NC2CCCCC21.
What is the InChIKey of 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
The InChIKey is MFMCFZYAMZAUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-19-12(7-9-16-19)8-10-18-11-15(20)17-13-5-3-4-6-14(13)18/h7,9,13-14H,2-6,8,10-11H2,1H3,(H,17,20).
What are the key properties of 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one?
4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethylpyrazol-3-yl)ethyl]-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is sourced from PubChem (CID 102562540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).