8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

C22H16FN5 — CID 86566405

IUPAC8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccccc3)nc21
InChIInChI=1S/C22H16FN5/c1-14(17-10-16-8-5-9-24-20(16)18(23)11-17)28-13-26-21-22(28)27-19(12-25-21)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyOWQQKUSKUSVYLA-UHFFFAOYSA-N
MW369.40 g/mol
LogP4.79
Rot. Bonds3

About 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566405) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566405
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccccc3)nc21
InChIInChI=1S/C22H16FN5/c1-14(17-10-16-8-5-9-24-20(16)18(23)11-17)28-13-26-21-22(28)27-19(12-25-21)15-6-3-2-4-7-15/h2-14H,1H3
InChIKeyOWQQKUSKUSVYLA-UHFFFAOYSA-N
XLogP4.79
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566405) is 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccccc3)nc21.
What is the InChIKey of 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is OWQQKUSKUSVYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c1-14(17-10-16-8-5-9-24-20(16)18(23)11-17)28-13-26-21-22(28)27-19(12-25-21)15-6-3-2-4-7-15/h2-14H,1H3.
What are the key properties of 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 369.40 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[1-(5-phenylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).