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

C15H9N3O5 — CID 154036186

IUPAC6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc2nc(/C=C/c3ccc([N+](=O)[O-])o3)ccc2c1
InChIInChI=1S/C15H9N3O5/c19-17(20)12-4-7-14-10(9-12)1-2-11(16-14)3-5-13-6-8-15(23-13)18(21)22/h1-9H/b5-3+
InChIKeyDSNFFXFMKSJQDR-HWKANZROSA-N
MW311.25 g/mol
LogP3.81
Rot. Bonds4

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

6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline (PubChem CID 154036186) has the molecular formula C15H9N3O5 and a molecular weight of 311.25 g/mol. Its IUPAC name is 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
PubChem CID154036186
Molecular FormulaC15H9N3O5
Molecular Weight311.25 g/mol
Exact Mass311.05
IUPAC Name6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
SMILESO=[N+]([O-])c1ccc2nc(/C=C/c3ccc([N+](=O)[O-])o3)ccc2c1
InChIInChI=1S/C15H9N3O5/c19-17(20)12-4-7-14-10(9-12)1-2-11(16-14)3-5-13-6-8-15(23-13)18(21)22/h1-9H/b5-3+
InChIKeyDSNFFXFMKSJQDR-HWKANZROSA-N
XLogP3.81
TPSA112.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

6-nitro-2-(2-phenylethenyl)quinoline
CID 54158128
2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline
CID 6445032
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
CID 5376326
2-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine
CID 121223245
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 131858262
2-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]-6-nitroquinoline
CID 167772581
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
CID 5377642
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791
2-nitro-5-[(Z)-2-nitroethenyl]furan
CID 23273708
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
The IUPAC name of 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline (CID 154036186) is 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline.
What is the SMILES notation for 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
The canonical SMILES for 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline is O=[N+]([O-])c1ccc2nc(/C=C/c3ccc([N+](=O)[O-])o3)ccc2c1.
What is the InChIKey of 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
The InChIKey is DSNFFXFMKSJQDR-HWKANZROSA-N. The full InChI is InChI=1S/C15H9N3O5/c19-17(20)12-4-7-14-10(9-12)1-2-11(16-14)3-5-13-6-8-15(23-13)18(21)22/h1-9H/b5-3+.
What are the key properties of 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline?
6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline has a molecular weight of 311.25 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline is sourced from PubChem (CID 154036186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).