8-(4-nitrophenoxy)quinoline

C15H10N2O3 — CID 2741915

IUPAC8-(4-nitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C15H10N2O3/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H
InChIKeyAVLOTNQUWDWUNC-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.94
Rot. Bonds3

About 8-(4-nitrophenoxy)quinoline

8-(4-nitrophenoxy)quinoline (PubChem CID 2741915) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 8-(4-nitrophenoxy)quinoline.

Molecular Properties

Compound Name8-(4-nitrophenoxy)quinoline
PubChem CID2741915
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name8-(4-nitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc3cccnc23)cc1
InChIInChI=1S/C15H10N2O3/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H
InChIKeyAVLOTNQUWDWUNC-UHFFFAOYSA-N
XLogP3.94
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.94
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 8-(4-nitrophenoxy)quinoline?
The IUPAC name of 8-(4-nitrophenoxy)quinoline (CID 2741915) is 8-(4-nitrophenoxy)quinoline.
What is the SMILES notation for 8-(4-nitrophenoxy)quinoline?
The canonical SMILES for 8-(4-nitrophenoxy)quinoline is O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)cc1.
What is the InChIKey of 8-(4-nitrophenoxy)quinoline?
The InChIKey is AVLOTNQUWDWUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-17(19)12-6-8-13(9-7-12)20-14-5-1-3-11-4-2-10-16-15(11)14/h1-10H.
What are the key properties of 8-(4-nitrophenoxy)quinoline?
8-(4-nitrophenoxy)quinoline has a molecular weight of 266.26 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-nitrophenoxy)quinoline is sourced from PubChem (CID 2741915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).