4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid

C17H10FN3O3 — CID 644103

IUPAC4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)cc1
InChIInChI=1S/C17H10FN3O3/c18-13-3-1-2-11-14-12(8-19-15(11)13)16(22)21(20-14)10-6-4-9(5-7-10)17(23)24/h1-8,20H,(H,23,24)
InChIKeyNLGJRBLPUVEYKC-UHFFFAOYSA-N
MW323.28 g/mol
LogP2.70
Rot. Bonds2

About 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid

4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid (PubChem CID 644103) has the molecular formula C17H10FN3O3 and a molecular weight of 323.28 g/mol. Its IUPAC name is 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
PubChem CID644103
Molecular FormulaC17H10FN3O3
Molecular Weight323.28 g/mol
Exact Mass323.07
IUPAC Name4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)cc1
InChIInChI=1S/C17H10FN3O3/c18-13-3-1-2-11-14-12(8-19-15(11)13)16(22)21(20-14)10-6-4-9(5-7-10)17(23)24/h1-8,20H,(H,23,24)
InChIKeyNLGJRBLPUVEYKC-UHFFFAOYSA-N
XLogP2.70
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
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 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
The IUPAC name of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid (CID 644103) is 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid.
What is the SMILES notation for 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
The canonical SMILES for 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid is O=C(O)c1ccc(-n2[nH]c3c(cnc4c(F)cccc43)c2=O)cc1.
What is the InChIKey of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
The InChIKey is NLGJRBLPUVEYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN3O3/c18-13-3-1-2-11-14-12(8-19-15(11)13)16(22)21(20-14)10-6-4-9(5-7-10)17(23)24/h1-8,20H,(H,23,24).
What are the key properties of 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid?
4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid has a molecular weight of 323.28 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)benzoic acid is sourced from PubChem (CID 644103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).