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

C17H11F2N3O2 — CID 54388981

IUPAC8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(F)cc43)c2=O)cc1F
InChIInChI=1S/C17H11F2N3O2/c1-24-15-5-3-10(7-13(15)19)22-17(23)12-8-20-14-4-2-9(18)6-11(14)16(12)21-22/h2-8,21H,1H3
InChIKeyFMIDFMZJDPPIHM-UHFFFAOYSA-N
MW327.29 g/mol
LogP3.15
Rot. Bonds2

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

8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 54388981) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID54388981
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC Name8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESCOc1ccc(-n2[nH]c3c(cnc4ccc(F)cc43)c2=O)cc1F
InChIInChI=1S/C17H11F2N3O2/c1-24-15-5-3-10(7-13(15)19)22-17(23)12-8-20-14-4-2-9(18)6-11(14)16(12)21-22/h2-8,21H,1H3
InChIKeyFMIDFMZJDPPIHM-UHFFFAOYSA-N
XLogP3.15
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 53.15
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 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 54388981) is 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is COc1ccc(-n2[nH]c3c(cnc4ccc(F)cc43)c2=O)cc1F.
What is the InChIKey of 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is FMIDFMZJDPPIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c1-24-15-5-3-10(7-13(15)19)22-17(23)12-8-20-14-4-2-9(18)6-11(14)16(12)21-22/h2-8,21H,1H3.
What are the key properties of 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 327.29 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(3-fluoro-4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 54388981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).