5-(7H-purin-8-yl)quinoxaline

C13H8N6 — CID 114402530

IUPAC5-(7H-purin-8-yl)quinoxaline
SMILESc1cc(-c2nc3ncncc3[nH]2)c2nccnc2c1
InChIInChI=1S/C13H8N6/c1-2-8(11-9(3-1)15-4-5-16-11)12-18-10-6-14-7-17-13(10)19-12/h1-7H,(H,14,17,18,19)
InChIKeyZHBLSDONLIXHAA-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.96
Rot. Bonds1

About 5-(7H-purin-8-yl)quinoxaline

5-(7H-purin-8-yl)quinoxaline (PubChem CID 114402530) has the molecular formula C13H8N6 and a molecular weight of 248.25 g/mol. Its IUPAC name is 5-(7H-purin-8-yl)quinoxaline.

Molecular Properties

Compound Name5-(7H-purin-8-yl)quinoxaline
PubChem CID114402530
Molecular FormulaC13H8N6
Molecular Weight248.25 g/mol
Exact Mass248.08
IUPAC Name5-(7H-purin-8-yl)quinoxaline
SMILESc1cc(-c2nc3ncncc3[nH]2)c2nccnc2c1
InChIInChI=1S/C13H8N6/c1-2-8(11-9(3-1)15-4-5-16-11)12-18-10-6-14-7-17-13(10)19-12/h1-7H,(H,14,17,18,19)
InChIKeyZHBLSDONLIXHAA-UHFFFAOYSA-N
XLogP1.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
8-(2-tert-butylphenyl)-7H-purine
CID 114402739
5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
CID 104615378
2-bromo-6-(7H-purin-8-yl)aniline
CID 114401929
5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615392
2-methoxy-6-(7H-purin-8-yl)phenol
CID 137000895
3-fluoro-2-(7H-purin-8-yl)phenol
CID 136959758
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
N-methyl-2-[2-(7H-purin-8-yl)phenyl]ethanamine
CID 114401895
8-(2-bromo-6-fluorophenyl)-7H-purine
CID 114560138
(9R)-4-(7H-purin-8-yl)-9H-fluorene-9-carboxamide
CID 67360207
8-(3-pyridin-2-ylphenyl)-7H-purine
CID 167771845

Frequently Asked Questions

What is the IUPAC name of 5-(7H-purin-8-yl)quinoxaline?
The IUPAC name of 5-(7H-purin-8-yl)quinoxaline (CID 114402530) is 5-(7H-purin-8-yl)quinoxaline.
What is the SMILES notation for 5-(7H-purin-8-yl)quinoxaline?
The canonical SMILES for 5-(7H-purin-8-yl)quinoxaline is c1cc(-c2nc3ncncc3[nH]2)c2nccnc2c1.
What is the InChIKey of 5-(7H-purin-8-yl)quinoxaline?
The InChIKey is ZHBLSDONLIXHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6/c1-2-8(11-9(3-1)15-4-5-16-11)12-18-10-6-14-7-17-13(10)19-12/h1-7H,(H,14,17,18,19).
What are the key properties of 5-(7H-purin-8-yl)quinoxaline?
5-(7H-purin-8-yl)quinoxaline has a molecular weight of 248.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-purin-8-yl)quinoxaline is sourced from PubChem (CID 114402530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).