2-(4-fluorophenoxy)-6-nitroquinoline

C15H9FN2O3 — CID 155587947

IUPAC2-(4-fluorophenoxy)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C15H9FN2O3/c16-11-2-5-13(6-3-11)21-15-8-1-10-9-12(18(19)20)4-7-14(10)17-15/h1-9H
InChIKeyPSJZJZHPRCACNU-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-fluorophenoxy)-6-nitroquinoline

2-(4-fluorophenoxy)-6-nitroquinoline (PubChem CID 155587947) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-6-nitroquinoline.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-6-nitroquinoline
PubChem CID155587947
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name2-(4-fluorophenoxy)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3)ccc2c1
InChIInChI=1S/C15H9FN2O3/c16-11-2-5-13(6-3-11)21-15-8-1-10-9-12(18(19)20)4-7-14(10)17-15/h1-9H
InChIKeyPSJZJZHPRCACNU-UHFFFAOYSA-N
XLogP4.07
TPSA65.26 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 ≤ 54.07
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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Related Compounds

2-(6-nitroquinolin-2-yl)oxyaniline
CID 61028337
2-(4-fluorophenyl)sulfanyl-6-nitroquinoline
CID 155587935
6-(4-fluorophenoxy)-3-nitropyridine-2-carbonitrile
CID 133499923
2-(2-methylpropoxy)-6-nitroquinoline
CID 155587922
2-fluoro-6-(4-nitrophenoxy)pyridine
CID 21391501
2-fluoro-4-(4-nitrophenoxy)pyrimidine
CID 133055231
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
4-fluoro-N-methyl-N-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 31244284
6-[(5-nitro-2-pyridinyl)oxy]quinoline
CID 47082227
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
4-(4-fluorophenoxy)-2-nitroaniline
CID 142716049
6-nitro-2-[2,3,5,6-tetrafluoro-4-(4-nitrophenoxy)phenyl]-1H-benzimidazole
CID 166491815

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-6-nitroquinoline?
The IUPAC name of 2-(4-fluorophenoxy)-6-nitroquinoline (CID 155587947) is 2-(4-fluorophenoxy)-6-nitroquinoline.
What is the SMILES notation for 2-(4-fluorophenoxy)-6-nitroquinoline?
The canonical SMILES for 2-(4-fluorophenoxy)-6-nitroquinoline is O=[N+]([O-])c1ccc2nc(Oc3ccc(F)cc3)ccc2c1.
What is the InChIKey of 2-(4-fluorophenoxy)-6-nitroquinoline?
The InChIKey is PSJZJZHPRCACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-11-2-5-13(6-3-11)21-15-8-1-10-9-12(18(19)20)4-7-14(10)17-15/h1-9H.
What are the key properties of 2-(4-fluorophenoxy)-6-nitroquinoline?
2-(4-fluorophenoxy)-6-nitroquinoline has a molecular weight of 284.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-6-nitroquinoline is sourced from PubChem (CID 155587947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).