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

C17H12FN3O2 — CID 13093687

IUPAC2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C17H12FN3O2/c1-23-12-6-7-15-13(8-12)16-14(9-19-15)17(22)21(20-16)11-4-2-10(18)3-5-11/h2-9,20H,1H3
InChIKeyVAAGOTZTFRXCIE-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.01
Rot. Bonds2

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

2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 13093687) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID13093687
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1
InChIInChI=1S/C17H12FN3O2/c1-23-12-6-7-15-13(8-12)16-14(9-19-15)17(22)21(20-16)11-4-2-10(18)3-5-11/h2-9,20H,1H3
InChIKeyVAAGOTZTFRXCIE-UHFFFAOYSA-N
XLogP3.01
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one (CID 13093687) is 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is VAAGOTZTFRXCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-23-12-6-7-15-13(8-12)16-14(9-19-15)17(22)21(20-16)11-4-2-10(18)3-5-11/h2-9,20H,1H3.
What are the key properties of 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one?
2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 309.30 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-methoxy-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 13093687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).