5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline

C25H24FN3 — CID 143653819

IUPAC5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline
SMILESFc1cccc(-c2ccc(/C=C/C3c4nccnc4CC4CCCCC43)nc2)c1
InChIInChI=1S/C25H24FN3/c26-20-6-3-5-17(14-20)19-8-9-21(29-16-19)10-11-23-22-7-2-1-4-18(22)15-24-25(23)28-13-12-27-24/h3,5-6,8-14,16,18,22-23H,1-2,4,7,15H2/b11-10+
InChIKeyNZRGPCZSNLMUPA-ZHACJKMWSA-N
MW385.49 g/mol
LogP5.84
Rot. Bonds3

About 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline

5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline (PubChem CID 143653819) has the molecular formula C25H24FN3 and a molecular weight of 385.49 g/mol. Its IUPAC name is 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline.

Molecular Properties

Compound Name5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline
PubChem CID143653819
Molecular FormulaC25H24FN3
Molecular Weight385.49 g/mol
Exact Mass385.20
IUPAC Name5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline
SMILESFc1cccc(-c2ccc(/C=C/C3c4nccnc4CC4CCCCC43)nc2)c1
InChIInChI=1S/C25H24FN3/c26-20-6-3-5-17(14-20)19-8-9-21(29-16-19)10-11-23-22-7-2-1-4-18(22)15-24-25(23)28-13-12-27-24/h3,5-6,8-14,16,18,22-23H,1-2,4,7,15H2/b11-10+
InChIKeyNZRGPCZSNLMUPA-ZHACJKMWSA-N
XLogP5.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline?
The IUPAC name of 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline (CID 143653819) is 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline.
What is the SMILES notation for 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline?
The canonical SMILES for 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline is Fc1cccc(-c2ccc(/C=C/C3c4nccnc4CC4CCCCC43)nc2)c1.
What is the InChIKey of 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline?
The InChIKey is NZRGPCZSNLMUPA-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H24FN3/c26-20-6-3-5-17(14-20)19-8-9-21(29-16-19)10-11-23-22-7-2-1-4-18(22)15-24-25(23)28-13-12-27-24/h3,5-6,8-14,16,18,22-23H,1-2,4,7,15H2/b11-10+.
What are the key properties of 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline?
5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline has a molecular weight of 385.49 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-(3-fluorophenyl)-2-pyridinyl]ethenyl]-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinoxaline is sourced from PubChem (CID 143653819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).