7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline

C22H13FN4O2 — CID 46251413

IUPAC7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline
SMILESO=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)c1
InChIInChI=1S/C22H13FN4O2/c23-15-9-10-18-20(11-15)24-13-19-21(14-5-2-1-3-6-14)25-26(22(18)19)16-7-4-8-17(12-16)27(28)29/h1-13H
InChIKeyQTNWKEDOEXGPLR-UHFFFAOYSA-N
MW384.37 g/mol
LogP5.29
Rot. Bonds3

About 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline

7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline (PubChem CID 46251413) has the molecular formula C22H13FN4O2 and a molecular weight of 384.37 g/mol. Its IUPAC name is 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline
PubChem CID46251413
Molecular FormulaC22H13FN4O2
Molecular Weight384.37 g/mol
Exact Mass384.10
IUPAC Name7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline
SMILESO=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)c1
InChIInChI=1S/C22H13FN4O2/c23-15-9-10-18-20(11-15)24-13-19-21(14-5-2-1-3-6-14)25-26(22(18)19)16-7-4-8-17(12-16)27(28)29/h1-13H
InChIKeyQTNWKEDOEXGPLR-UHFFFAOYSA-N
XLogP5.29
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.37
LogP ≤ 55.29
H-Bond Donors ≤ 50
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 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The IUPAC name of 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline (CID 46251413) is 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline.
What is the SMILES notation for 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The canonical SMILES for 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline is O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)c1.
What is the InChIKey of 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline?
The InChIKey is QTNWKEDOEXGPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN4O2/c23-15-9-10-18-20(11-15)24-13-19-21(14-5-2-1-3-6-14)25-26(22(18)19)16-7-4-8-17(12-16)27(28)29/h1-13H.
What are the key properties of 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline?
7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline has a molecular weight of 384.37 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-(3-nitrophenyl)-3-phenylpyrazolo[4,3-c]quinoline is sourced from PubChem (CID 46251413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).