[6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone

C19H17FN4O2 — CID 118273518

IUPAC[6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc2cc(Oc3ccc(F)cn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C19H17FN4O2/c20-14-2-6-18(22-12-14)26-15-3-5-16-13(11-15)1-4-17(23-16)19(25)24-9-7-21-8-10-24/h1-6,11-12,21H,7-10H2
InChIKeyAATJHIFTVCAMGM-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.61
Rot. Bonds3

About [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone

[6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone (PubChem CID 118273518) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone
PubChem CID118273518
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc2cc(Oc3ccc(F)cn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C19H17FN4O2/c20-14-2-6-18(22-12-14)26-15-3-5-16-13(11-15)1-4-17(23-16)19(25)24-9-7-21-8-10-24/h1-6,11-12,21H,7-10H2
InChIKeyAATJHIFTVCAMGM-UHFFFAOYSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone (CID 118273518) is [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone is O=C(c1ccc2cc(Oc3ccc(F)cn3)ccc2n1)N1CCNCC1.
What is the InChIKey of [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is AATJHIFTVCAMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-14-2-6-18(22-12-14)26-15-3-5-16-13(11-15)1-4-17(23-16)19(25)24-9-7-21-8-10-24/h1-6,11-12,21H,7-10H2.
What are the key properties of [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone?
[6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 352.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(5-fluoro-2-pyridinyl)oxy]quinolin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118273518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).