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

C17H11BrFN3O — CID 134508254

IUPAC8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O
InChIInChI=1S/C17H11BrFN3O/c1-9-4-2-3-5-14(9)22-17(23)12-8-20-16-11(15(12)21-22)6-10(18)7-13(16)19/h2-8,21H,1H3
InChIKeyLGGRGZKTLXCDLO-UHFFFAOYSA-N
MW372.20 g/mol
LogP4.08
Rot. Bonds1

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

8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 134508254) has the molecular formula C17H11BrFN3O and a molecular weight of 372.20 g/mol. Its IUPAC name is 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID134508254
Molecular FormulaC17H11BrFN3O
Molecular Weight372.20 g/mol
Exact Mass371.01
IUPAC Name8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O
InChIInChI=1S/C17H11BrFN3O/c1-9-4-2-3-5-14(9)22-17(23)12-8-20-16-11(15(12)21-22)6-10(18)7-13(16)19/h2-8,21H,1H3
InChIKeyLGGRGZKTLXCDLO-UHFFFAOYSA-N
XLogP4.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 54.08
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-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 134508254) is 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccccc1-n1[nH]c2c(cnc3c(F)cc(Br)cc32)c1=O.
What is the InChIKey of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is LGGRGZKTLXCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O/c1-9-4-2-3-5-14(9)22-17(23)12-8-20-16-11(15(12)21-22)6-10(18)7-13(16)19/h2-8,21H,1H3.
What are the key properties of 8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-bromo-6-fluoro-2-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 372.20 g/mol, XLogP of 4.08, 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-(2-methylphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 134508254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).