8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C16H9F2N3O — CID 58189277

IUPAC8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(F)cc3c2[nH]n1-c1ccccc1F
InChIInChI=1S/C16H9F2N3O/c17-9-5-6-13-10(7-9)15-11(8-19-13)16(22)21(20-15)14-4-2-1-3-12(14)18/h1-8,20H
InChIKeyTYNSXKDJBZFRHJ-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.15
Rot. Bonds1

About 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 58189277) has the molecular formula C16H9F2N3O and a molecular weight of 297.26 g/mol. Its IUPAC name is 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID58189277
Molecular FormulaC16H9F2N3O
Molecular Weight297.26 g/mol
Exact Mass297.07
IUPAC Name8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(F)cc3c2[nH]n1-c1ccccc1F
InChIInChI=1S/C16H9F2N3O/c17-9-5-6-13-10(7-9)15-11(8-19-13)16(22)21(20-15)14-4-2-1-3-12(14)18/h1-8,20H
InChIKeyTYNSXKDJBZFRHJ-UHFFFAOYSA-N
XLogP3.15
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 58189277) is 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccc(F)cc3c2[nH]n1-c1ccccc1F.
What is the InChIKey of 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is TYNSXKDJBZFRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O/c17-9-5-6-13-10(7-9)15-11(8-19-13)16(22)21(20-15)14-4-2-1-3-12(14)18/h1-8,20H.
What are the key properties of 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 297.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(2-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 58189277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).