2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline

C26H24N2 — CID 134943542

IUPAC2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline
SMILESC(=C/[C@@H](CCc1ccccc1)Cc1cnc2ccccc2n1)\c1ccccc1
InChIInChI=1S/C26H24N2/c1-3-9-21(10-4-1)15-17-23(18-16-22-11-5-2-6-12-22)19-24-20-27-25-13-7-8-14-26(25)28-24/h1-15,17,20,23H,16,18-19H2/b17-15+/t23-/m0/s1
InChIKeyGGNLAFCQRRWGEZ-GGJDQLKOSA-N
MW364.49 g/mol
LogP6.13
Rot. Bonds7

About 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline

2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline (PubChem CID 134943542) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline.

Molecular Properties

Compound Name2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline
PubChem CID134943542
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline
SMILESC(=C/[C@@H](CCc1ccccc1)Cc1cnc2ccccc2n1)\c1ccccc1
InChIInChI=1S/C26H24N2/c1-3-9-21(10-4-1)15-17-23(18-16-22-11-5-2-6-12-22)19-24-20-27-25-13-7-8-14-26(25)28-24/h1-15,17,20,23H,16,18-19H2/b17-15+/t23-/m0/s1
InChIKeyGGNLAFCQRRWGEZ-GGJDQLKOSA-N
XLogP6.13
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline?
The IUPAC name of 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline (CID 134943542) is 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline.
What is the SMILES notation for 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline?
The canonical SMILES for 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline is C(=C/[C@@H](CCc1ccccc1)Cc1cnc2ccccc2n1)\c1ccccc1.
What is the InChIKey of 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline?
The InChIKey is GGNLAFCQRRWGEZ-GGJDQLKOSA-N. The full InChI is InChI=1S/C26H24N2/c1-3-9-21(10-4-1)15-17-23(18-16-22-11-5-2-6-12-22)19-24-20-27-25-13-7-8-14-26(25)28-24/h1-15,17,20,23H,16,18-19H2/b17-15+/t23-/m0/s1.
What are the key properties of 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline?
2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline has a molecular weight of 364.49 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,2S)-4-phenyl-2-(2-phenylethyl)but-3-enyl]quinoxaline is sourced from PubChem (CID 134943542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).