2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol

C15H10N2O4 — CID 5376864

IUPAC2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)o1
InChIInChI=1S/C15H10N2O4/c18-13-3-1-2-10-4-5-11(16-15(10)13)6-7-12-8-9-14(21-12)17(19)20/h1-9,18H/b7-6+
InChIKeyPEDMQXHJKBSKGD-VOTSOKGWSA-N
MW282.26 g/mol
LogP3.61
Rot. Bonds3

About 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol

2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol (PubChem CID 5376864) has the molecular formula C15H10N2O4 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol
PubChem CID5376864
Molecular FormulaC15H10N2O4
Molecular Weight282.26 g/mol
Exact Mass282.06
IUPAC Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol
SMILESO=[N+]([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)o1
InChIInChI=1S/C15H10N2O4/c18-13-3-1-2-10-4-5-11(16-15(10)13)6-7-12-8-9-14(21-12)17(19)20/h1-9,18H/b7-6+
InChIKeyPEDMQXHJKBSKGD-VOTSOKGWSA-N
XLogP3.61
TPSA89.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol?
The IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol (CID 5376864) is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol.
What is the SMILES notation for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol?
The canonical SMILES for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol is O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)o1.
What is the InChIKey of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol?
The InChIKey is PEDMQXHJKBSKGD-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H10N2O4/c18-13-3-1-2-10-4-5-11(16-15(10)13)6-7-12-8-9-14(21-12)17(19)20/h1-9,18H/b7-6+.
What are the key properties of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol?
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol has a molecular weight of 282.26 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-8-ol is sourced from PubChem (CID 5376864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).