8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline

C18H13FN4 — CID 167873176

IUPAC8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline
SMILESCc1ccc2ccc(-c3ccnn3-c3cccnc3)c(F)c2n1
InChIInChI=1S/C18H13FN4/c1-12-4-5-13-6-7-15(17(19)18(13)22-12)16-8-10-21-23(16)14-3-2-9-20-11-14/h2-11H,1H3
InChIKeyOCAYTCUOJGIVBG-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.93
Rot. Bonds2

About 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline

8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline (PubChem CID 167873176) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline
PubChem CID167873176
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline
SMILESCc1ccc2ccc(-c3ccnn3-c3cccnc3)c(F)c2n1
InChIInChI=1S/C18H13FN4/c1-12-4-5-13-6-7-15(17(19)18(13)22-12)16-8-10-21-23(16)14-3-2-9-20-11-14/h2-11H,1H3
InChIKeyOCAYTCUOJGIVBG-UHFFFAOYSA-N
XLogP3.93
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline?
The IUPAC name of 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline (CID 167873176) is 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline.
What is the SMILES notation for 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline?
The canonical SMILES for 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline is Cc1ccc2ccc(-c3ccnn3-c3cccnc3)c(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline?
The InChIKey is OCAYTCUOJGIVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c1-12-4-5-13-6-7-15(17(19)18(13)22-12)16-8-10-21-23(16)14-3-2-9-20-11-14/h2-11H,1H3.
What are the key properties of 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline?
8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline has a molecular weight of 304.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-7-(2-pyridin-3-ylpyrazol-3-yl)quinoline is sourced from PubChem (CID 167873176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).