4-benzylpyrrolo[1,2-a]quinoxaline

C18H14N2 — CID 164621618

IUPAC4-benzylpyrrolo[1,2-a]quinoxaline
SMILESc1ccc(Cc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C18H14N2/c1-2-7-14(8-3-1)13-16-18-11-6-12-20(18)17-10-5-4-9-15(17)19-16/h1-12H,13H2
InChIKeyJITOGCCOHOTFLI-UHFFFAOYSA-N
MW258.32 g/mol
LogP4.08
Rot. Bonds2

About 4-benzylpyrrolo[1,2-a]quinoxaline

4-benzylpyrrolo[1,2-a]quinoxaline (PubChem CID 164621618) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-benzylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-benzylpyrrolo[1,2-a]quinoxaline
PubChem CID164621618
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name4-benzylpyrrolo[1,2-a]quinoxaline
SMILESc1ccc(Cc2nc3ccccc3n3cccc23)cc1
InChIInChI=1S/C18H14N2/c1-2-7-14(8-3-1)13-16-18-11-6-12-20(18)17-10-5-4-9-15(17)19-16/h1-12H,13H2
InChIKeyJITOGCCOHOTFLI-UHFFFAOYSA-N
XLogP4.08
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-benzylpyrrolo[1,2-a]quinoxaline (CID 164621618) is 4-benzylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-benzylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-benzylpyrrolo[1,2-a]quinoxaline is c1ccc(Cc2nc3ccccc3n3cccc23)cc1.
What is the InChIKey of 4-benzylpyrrolo[1,2-a]quinoxaline?
The InChIKey is JITOGCCOHOTFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-7-14(8-3-1)13-16-18-11-6-12-20(18)17-10-5-4-9-15(17)19-16/h1-12H,13H2.
What are the key properties of 4-benzylpyrrolo[1,2-a]quinoxaline?
4-benzylpyrrolo[1,2-a]quinoxaline has a molecular weight of 258.32 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 164621618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).