2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline

C22H20N4 — CID 139373865

IUPAC2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline
SMILESCc1ccc2ncc(/C=C/c3cc(C)n(-c4cccnc4)c3C)nc2c1
InChIInChI=1S/C22H20N4/c1-15-6-9-21-22(11-15)25-19(13-24-21)8-7-18-12-16(2)26(17(18)3)20-5-4-10-23-14-20/h4-14H,1-3H3/b8-7+
InChIKeyQHHGLGWYONQMRE-BQYQJAHWSA-N
MW340.43 g/mol
LogP4.91
Rot. Bonds3

About 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline

2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline (PubChem CID 139373865) has the molecular formula C22H20N4 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline.

Molecular Properties

Compound Name2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline
PubChem CID139373865
Molecular FormulaC22H20N4
Molecular Weight340.43 g/mol
Exact Mass340.17
IUPAC Name2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline
SMILESCc1ccc2ncc(/C=C/c3cc(C)n(-c4cccnc4)c3C)nc2c1
InChIInChI=1S/C22H20N4/c1-15-6-9-21-22(11-15)25-19(13-24-21)8-7-18-12-16(2)26(17(18)3)20-5-4-10-23-14-20/h4-14H,1-3H3/b8-7+
InChIKeyQHHGLGWYONQMRE-BQYQJAHWSA-N
XLogP4.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline?
The IUPAC name of 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline (CID 139373865) is 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline.
What is the SMILES notation for 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline?
The canonical SMILES for 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline is Cc1ccc2ncc(/C=C/c3cc(C)n(-c4cccnc4)c3C)nc2c1.
What is the InChIKey of 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline?
The InChIKey is QHHGLGWYONQMRE-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H20N4/c1-15-6-9-21-22(11-15)25-19(13-24-21)8-7-18-12-16(2)26(17(18)3)20-5-4-10-23-14-20/h4-14H,1-3H3/b8-7+.
What are the key properties of 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline?
2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline has a molecular weight of 340.43 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)ethenyl]-7-methylquinoxaline is sourced from PubChem (CID 139373865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).