1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one

C21H13FN2O3 — CID 139691233

IUPAC1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one
SMILESO=c1ccn(-c2ccc(F)cc2)c2cc(-c3cccc([N+](=O)[O-])c3)ccc12
InChIInChI=1S/C21H13FN2O3/c22-16-5-7-17(8-6-16)23-11-10-21(25)19-9-4-15(13-20(19)23)14-2-1-3-18(12-14)24(26)27/h1-13H
InChIKeyRHROPHOSIRCABH-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.70
Rot. Bonds3

About 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one

1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one (PubChem CID 139691233) has the molecular formula C21H13FN2O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one
PubChem CID139691233
Molecular FormulaC21H13FN2O3
Molecular Weight360.34 g/mol
Exact Mass360.09
IUPAC Name1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one
SMILESO=c1ccn(-c2ccc(F)cc2)c2cc(-c3cccc([N+](=O)[O-])c3)ccc12
InChIInChI=1S/C21H13FN2O3/c22-16-5-7-17(8-6-16)23-11-10-21(25)19-9-4-15(13-20(19)23)14-2-1-3-18(12-14)24(26)27/h1-13H
InChIKeyRHROPHOSIRCABH-UHFFFAOYSA-N
XLogP4.70
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.70
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 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one (CID 139691233) is 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one is O=c1ccn(-c2ccc(F)cc2)c2cc(-c3cccc([N+](=O)[O-])c3)ccc12.
What is the InChIKey of 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one?
The InChIKey is RHROPHOSIRCABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN2O3/c22-16-5-7-17(8-6-16)23-11-10-21(25)19-9-4-15(13-20(19)23)14-2-1-3-18(12-14)24(26)27/h1-13H.
What are the key properties of 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one?
1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one has a molecular weight of 360.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-(3-nitrophenyl)quinolin-4-one is sourced from PubChem (CID 139691233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).