4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline

C15H8Cl2N2O3 — CID 21159262

IUPAC4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline
SMILESC=C(c1cc(Cl)c2ccc(Cl)cc2n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H8Cl2N2O3/c1-8(14-4-5-15(22-14)19(20)21)12-7-11(17)10-3-2-9(16)6-13(10)18-12/h2-7H,1H2
InChIKeyIZHZJYXLYPNDGQ-UHFFFAOYSA-N
MW335.15 g/mol
LogP5.10
Rot. Bonds3

About 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline

4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline (PubChem CID 21159262) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline
PubChem CID21159262
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline
SMILESC=C(c1cc(Cl)c2ccc(Cl)cc2n1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H8Cl2N2O3/c1-8(14-4-5-15(22-14)19(20)21)12-7-11(17)10-3-2-9(16)6-13(10)18-12/h2-7H,1H2
InChIKeyIZHZJYXLYPNDGQ-UHFFFAOYSA-N
XLogP5.10
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.15
LogP ≤ 55.10
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 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline?
The IUPAC name of 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline (CID 21159262) is 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline.
What is the SMILES notation for 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline?
The canonical SMILES for 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline is C=C(c1cc(Cl)c2ccc(Cl)cc2n1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline?
The InChIKey is IZHZJYXLYPNDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c1-8(14-4-5-15(22-14)19(20)21)12-7-11(17)10-3-2-9(16)6-13(10)18-12/h2-7H,1H2.
What are the key properties of 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline?
4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline has a molecular weight of 335.15 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-[1-(5-nitrofuran-2-yl)ethenyl]quinoline is sourced from PubChem (CID 21159262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).