2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one

C17H11ClFN3O — CID 678872

IUPAC2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(F)c2ncc3c(=O)n(-c4ccccc4Cl)[nH]c3c12
InChIInChI=1S/C17H11ClFN3O/c1-9-6-7-12(19)16-14(9)15-10(8-20-16)17(23)22(21-15)13-5-3-2-4-11(13)18/h2-8,21H,1H3
InChIKeyLJXQCUNQYSDXOD-UHFFFAOYSA-N
MW327.75 g/mol
LogP3.97
Rot. Bonds1

About 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one

2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 678872) has the molecular formula C17H11ClFN3O and a molecular weight of 327.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID678872
Molecular FormulaC17H11ClFN3O
Molecular Weight327.75 g/mol
Exact Mass327.06
IUPAC Name2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc(F)c2ncc3c(=O)n(-c4ccccc4Cl)[nH]c3c12
InChIInChI=1S/C17H11ClFN3O/c1-9-6-7-12(19)16-14(9)15-10(8-20-16)17(23)22(21-15)13-5-3-2-4-11(13)18/h2-8,21H,1H3
InChIKeyLJXQCUNQYSDXOD-UHFFFAOYSA-N
XLogP3.97
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.75
LogP ≤ 53.97
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 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 678872) is 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc(F)c2ncc3c(=O)n(-c4ccccc4Cl)[nH]c3c12.
What is the InChIKey of 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is LJXQCUNQYSDXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN3O/c1-9-6-7-12(19)16-14(9)15-10(8-20-16)17(23)22(21-15)13-5-3-2-4-11(13)18/h2-8,21H,1H3.
What are the key properties of 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 327.75 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-fluoro-9-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 678872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).