2-[(E)-4-phenylbut-1-enyl]quinoxaline

C18H16N2 — CID 134943541

IUPAC2-[(E)-4-phenylbut-1-enyl]quinoxaline
SMILESC(=C/c1cnc2ccccc2n1)\CCc1ccccc1
InChIInChI=1S/C18H16N2/c1-2-8-15(9-3-1)10-4-5-11-16-14-19-17-12-6-7-13-18(17)20-16/h1-3,5-9,11-14H,4,10H2/b11-5+
InChIKeyBSRCUFQMHBCTIU-VZUCSPMQSA-N
MW260.34 g/mol
LogP4.28
Rot. Bonds4

About 2-[(E)-4-phenylbut-1-enyl]quinoxaline

2-[(E)-4-phenylbut-1-enyl]quinoxaline (PubChem CID 134943541) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(E)-4-phenylbut-1-enyl]quinoxaline.

Molecular Properties

Compound Name2-[(E)-4-phenylbut-1-enyl]quinoxaline
PubChem CID134943541
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-[(E)-4-phenylbut-1-enyl]quinoxaline
SMILESC(=C/c1cnc2ccccc2n1)\CCc1ccccc1
InChIInChI=1S/C18H16N2/c1-2-8-15(9-3-1)10-4-5-11-16-14-19-17-12-6-7-13-18(17)20-16/h1-3,5-9,11-14H,4,10H2/b11-5+
InChIKeyBSRCUFQMHBCTIU-VZUCSPMQSA-N
XLogP4.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-phenylbut-1-enyl]quinoxaline?
The IUPAC name of 2-[(E)-4-phenylbut-1-enyl]quinoxaline (CID 134943541) is 2-[(E)-4-phenylbut-1-enyl]quinoxaline.
What is the SMILES notation for 2-[(E)-4-phenylbut-1-enyl]quinoxaline?
The canonical SMILES for 2-[(E)-4-phenylbut-1-enyl]quinoxaline is C(=C/c1cnc2ccccc2n1)\CCc1ccccc1.
What is the InChIKey of 2-[(E)-4-phenylbut-1-enyl]quinoxaline?
The InChIKey is BSRCUFQMHBCTIU-VZUCSPMQSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-8-15(9-3-1)10-4-5-11-16-14-19-17-12-6-7-13-18(17)20-16/h1-3,5-9,11-14H,4,10H2/b11-5+.
What are the key properties of 2-[(E)-4-phenylbut-1-enyl]quinoxaline?
2-[(E)-4-phenylbut-1-enyl]quinoxaline has a molecular weight of 260.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-phenylbut-1-enyl]quinoxaline is sourced from PubChem (CID 134943541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).