6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline

C18H19FN2 — CID 67637129

IUPAC6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline
SMILESC=CCc1cnc2cc(C#CCCCC(C)F)ccc2n1
InChIInChI=1S/C18H19FN2/c1-3-7-16-13-20-18-12-15(10-11-17(18)21-16)9-6-4-5-8-14(2)19/h3,10-14H,1,4-5,7-8H2,2H3
InChIKeyOIYKBIOIPZUQDK-UHFFFAOYSA-N
MW282.36 g/mol
LogP4.24
Rot. Bonds5

About 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline

6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline (PubChem CID 67637129) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline.

Molecular Properties

Compound Name6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline
PubChem CID67637129
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline
SMILESC=CCc1cnc2cc(C#CCCCC(C)F)ccc2n1
InChIInChI=1S/C18H19FN2/c1-3-7-16-13-20-18-12-15(10-11-17(18)21-16)9-6-4-5-8-14(2)19/h3,10-14H,1,4-5,7-8H2,2H3
InChIKeyOIYKBIOIPZUQDK-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline 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 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline?
The IUPAC name of 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline (CID 67637129) is 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline.
What is the SMILES notation for 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline?
The canonical SMILES for 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline is C=CCc1cnc2cc(C#CCCCC(C)F)ccc2n1.
What is the InChIKey of 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline?
The InChIKey is OIYKBIOIPZUQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-3-7-16-13-20-18-12-15(10-11-17(18)21-16)9-6-4-5-8-14(2)19/h3,10-14H,1,4-5,7-8H2,2H3.
What are the key properties of 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline?
6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline has a molecular weight of 282.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline is sourced from PubChem (CID 67637129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).