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

C16H9BrFN3O — CID 102167791

IUPAC8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C16H9BrFN3O/c17-9-1-6-14-12(7-9)15-13(8-19-14)16(22)21(20-15)11-4-2-10(18)3-5-11/h1-8,20H
InChIKeyGBXRIKABPDWBOQ-UHFFFAOYSA-N
MW358.17 g/mol
LogP3.77
Rot. Bonds1

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

8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 102167791) has the molecular formula C16H9BrFN3O and a molecular weight of 358.17 g/mol. Its IUPAC name is 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID102167791
Molecular FormulaC16H9BrFN3O
Molecular Weight358.17 g/mol
Exact Mass356.99
IUPAC Name8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccc(F)cc1
InChIInChI=1S/C16H9BrFN3O/c17-9-1-6-14-12(7-9)15-13(8-19-14)16(22)21(20-15)11-4-2-10(18)3-5-11/h1-8,20H
InChIKeyGBXRIKABPDWBOQ-UHFFFAOYSA-N
XLogP3.77
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.17
LogP ≤ 53.77
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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Related Compounds

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CID 10379792
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CID 44384605
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CID 5273072
CID 5273072
CID 10107991
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CID 11778675
CID 11778675
CID 13093669
CID 13093669
CID 44342846
CID 44342846
CID 145983744
CID 145983744
CID 930554
CID 930554
CID 995077
CID 995077

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 102167791) is 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccc(Br)cc3c2[nH]n1-c1ccc(F)cc1.
What is the InChIKey of 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is GBXRIKABPDWBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrFN3O/c17-9-1-6-14-12(7-9)15-13(8-19-14)16(22)21(20-15)11-4-2-10(18)3-5-11/h1-8,20H.
What are the key properties of 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 358.17 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-fluorophenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 102167791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).