6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline

C15H9FN2O3 — CID 118723550

IUPAC6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc3cc(F)ccc3n2)o1
InChIInChI=1S/C15H9FN2O3/c16-11-2-7-14-10(9-11)1-3-12(17-14)4-5-13-6-8-15(21-13)18(19)20/h1-9H/b5-4+
InChIKeyOHMDMQMZHWNHKR-SNAWJCMRSA-N
MW284.25 g/mol
LogP4.05
Rot. Bonds3

About 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline

6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline (PubChem CID 118723550) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
PubChem CID118723550
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc3cc(F)ccc3n2)o1
InChIInChI=1S/C15H9FN2O3/c16-11-2-7-14-10(9-11)1-3-12(17-14)4-5-13-6-8-15(21-13)18(19)20/h1-9H/b5-4+
InChIKeyOHMDMQMZHWNHKR-SNAWJCMRSA-N
XLogP4.05
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
The IUPAC name of 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline (CID 118723550) is 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline.
What is the SMILES notation for 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
The canonical SMILES for 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline is O=[N+]([O-])c1ccc(/C=C/c2ccc3cc(F)ccc3n2)o1.
What is the InChIKey of 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
The InChIKey is OHMDMQMZHWNHKR-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-11-2-7-14-10(9-11)1-3-12(17-14)4-5-13-6-8-15(21-13)18(19)20/h1-9H/b5-4+.
What are the key properties of 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline has a molecular weight of 284.25 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline is sourced from PubChem (CID 118723550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).