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

C13H7FN4OS — CID 13473005

IUPAC8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(F)cc3c2[nH]n1-c1nccs1
InChIInChI=1S/C13H7FN4OS/c14-7-1-2-10-8(5-7)11-9(6-16-10)12(19)18(17-11)13-15-3-4-20-13/h1-6,17H
InChIKeyLHBRHWWEUGOPJN-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.46
Rot. Bonds1

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

8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (PubChem CID 13473005) has the molecular formula C13H7FN4OS and a molecular weight of 286.29 g/mol. Its IUPAC name is 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.

Molecular Properties

Compound Name8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
PubChem CID13473005
Molecular FormulaC13H7FN4OS
Molecular Weight286.29 g/mol
Exact Mass286.03
IUPAC Name8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one
SMILESO=c1c2cnc3ccc(F)cc3c2[nH]n1-c1nccs1
InChIInChI=1S/C13H7FN4OS/c14-7-1-2-10-8(5-7)11-9(6-16-10)12(19)18(17-11)13-15-3-4-20-13/h1-6,17H
InChIKeyLHBRHWWEUGOPJN-UHFFFAOYSA-N
XLogP2.46
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The IUPAC name of 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one (CID 13473005) is 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one.
What is the SMILES notation for 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The canonical SMILES for 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is O=c1c2cnc3ccc(F)cc3c2[nH]n1-c1nccs1.
What is the InChIKey of 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
The InChIKey is LHBRHWWEUGOPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN4OS/c14-7-1-2-10-8(5-7)11-9(6-16-10)12(19)18(17-11)13-15-3-4-20-13/h1-6,17H.
What are the key properties of 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one?
8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one has a molecular weight of 286.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c]quinolin-3-one is sourced from PubChem (CID 13473005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).