2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

C16H10FN3O — CID 135409960

IUPAC2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2nn(-c3ccc(F)cc3)cc12
InChIInChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21)
InChIKeyXFSGUADXNUJUFE-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.01
Rot. Bonds1

About 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one

2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (PubChem CID 135409960) has the molecular formula C16H10FN3O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
PubChem CID135409960
Molecular FormulaC16H10FN3O
Molecular Weight279.27 g/mol
Exact Mass279.08
IUPAC Name2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
SMILESO=c1[nH]c2ccccc2c2nn(-c3ccc(F)cc3)cc12
InChIInChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21)
InChIKeyXFSGUADXNUJUFE-UHFFFAOYSA-N
XLogP3.01
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one (CID 135409960) is 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is O=c1[nH]c2ccccc2c2nn(-c3ccc(F)cc3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is XFSGUADXNUJUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O/c17-10-5-7-11(8-6-10)20-9-13-15(19-20)12-3-1-2-4-14(12)18-16(13)21/h1-9H,(H,18,21).
What are the key properties of 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one?
2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 279.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5H-pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 135409960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).