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

C17H12FN3O — CID 5273072

IUPAC2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C17H12FN3O/c1-10-2-7-15-13(8-10)16-14(9-19-15)17(22)21(20-16)12-5-3-11(18)4-6-12/h2-9,20H,1H3
InChIKeyMDHICFKSJUFQOE-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.31
Rot. Bonds1

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

2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 5273072) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID5273072
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC Name2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCc1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C17H12FN3O/c1-10-2-7-15-13(8-10)16-14(9-19-15)17(22)21(20-16)12-5-3-11(18)4-6-12/h2-9,20H,1H3
InChIKeyMDHICFKSJUFQOE-UHFFFAOYSA-N
XLogP3.31
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.31
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-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one (CID 5273072) is 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is Cc1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is MDHICFKSJUFQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-10-2-7-15-13(8-10)16-14(9-19-15)17(22)21(20-16)12-5-3-11(18)4-6-12/h2-9,20H,1H3.
What are the key properties of 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 293.30 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 5273072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).