8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

C16H8BrF2N3O — CID 134497480

IUPAC8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C16H8BrF2N3O/c17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h1-7,21H
InChIKeyPCDBXSJGMDXSOD-UHFFFAOYSA-N
MW376.16 g/mol
LogP3.91
Rot. Bonds1

About 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one

8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134497480) has the molecular formula C16H8BrF2N3O and a molecular weight of 376.16 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134497480
Molecular FormulaC16H8BrF2N3O
Molecular Weight376.16 g/mol
Exact Mass374.98
IUPAC Name8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C16H8BrF2N3O/c17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h1-7,21H
InChIKeyPCDBXSJGMDXSOD-UHFFFAOYSA-N
XLogP3.91
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.16
LogP ≤ 53.91
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-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134497480) is 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3c(F)cc(Br)cc3c2[nH]n1-c1ccc(F)cc1.
What is the InChIKey of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is PCDBXSJGMDXSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrF2N3O/c17-8-5-11-14-12(7-20-15(11)13(19)6-8)16(23)22(21-14)10-3-1-9(18)2-4-10/h1-7,21H.
What are the key properties of 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 376.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134497480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).