8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one

C12H8FN3O — CID 142646906

IUPAC8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one
SMILESO=c1c(-n2ccnc2)c[nH]c2c(F)cccc12
InChIInChI=1S/C12H8FN3O/c13-9-3-1-2-8-11(9)15-6-10(12(8)17)16-5-4-14-7-16/h1-7H,(H,15,17)
InChIKeyUKWJODVJFDQVAU-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.85
Rot. Bonds1

About 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one

8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one (PubChem CID 142646906) has the molecular formula C12H8FN3O and a molecular weight of 229.21 g/mol. Its IUPAC name is 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one
PubChem CID142646906
Molecular FormulaC12H8FN3O
Molecular Weight229.21 g/mol
Exact Mass229.07
IUPAC Name8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one
SMILESO=c1c(-n2ccnc2)c[nH]c2c(F)cccc12
InChIInChI=1S/C12H8FN3O/c13-9-3-1-2-8-11(9)15-6-10(12(8)17)16-5-4-14-7-16/h1-7H,(H,15,17)
InChIKeyUKWJODVJFDQVAU-UHFFFAOYSA-N
XLogP1.85
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one?
The IUPAC name of 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one (CID 142646906) is 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one.
What is the SMILES notation for 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one?
The canonical SMILES for 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one is O=c1c(-n2ccnc2)c[nH]c2c(F)cccc12.
What is the InChIKey of 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one?
The InChIKey is UKWJODVJFDQVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O/c13-9-3-1-2-8-11(9)15-6-10(12(8)17)16-5-4-14-7-16/h1-7H,(H,15,17).
What are the key properties of 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one?
8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one has a molecular weight of 229.21 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-imidazol-1-yl-1H-quinolin-4-one is sourced from PubChem (CID 142646906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).