[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone

C18H16FN5O2 — CID 118273484

IUPAC[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc2cc(Oc3ncc(F)cn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C18H16FN5O2/c19-13-10-21-18(22-11-13)26-14-2-4-15-12(9-14)1-3-16(23-15)17(25)24-7-5-20-6-8-24/h1-4,9-11,20H,5-8H2
InChIKeyZIZYQIQCIGCCLV-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.00
Rot. Bonds3

About [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone

[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone (PubChem CID 118273484) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone
PubChem CID118273484
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc2cc(Oc3ncc(F)cn3)ccc2n1)N1CCNCC1
InChIInChI=1S/C18H16FN5O2/c19-13-10-21-18(22-11-13)26-14-2-4-15-12(9-14)1-3-16(23-15)17(25)24-7-5-20-6-8-24/h1-4,9-11,20H,5-8H2
InChIKeyZIZYQIQCIGCCLV-UHFFFAOYSA-N
XLogP2.00
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
piperazin-1-yl-[6-[6-(trifluoromethyl)pyridazin-3-yl]oxyquinolin-2-yl]methanone
CID 118273611
(6-hydroxyquinolin-2-yl)-piperazin-1-ylmethanone
CID 150186981
pyrrolidine;pyrrolidin-1-yl-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 159673625
(6-fluoro-1,4-diazepan-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273380
[(3R)-3-(hydroxymethyl)piperazin-1-yl]-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273401
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-[(3R)-3-(hydroxymethyl)piperazin-1-yl]methanone
CID 118274039
(4-methylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273889
(4-hydroxy-4-methylpiperidin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273886
[(3R)-3-ethylpiperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273992
4-[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinoline-2-carbonyl]-1-methylpiperazin-2-one
CID 118273408
(4-phenylpiperazin-1-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
CID 118273506

Frequently Asked Questions

What is the IUPAC name of [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone (CID 118273484) is [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone is O=C(c1ccc2cc(Oc3ncc(F)cn3)ccc2n1)N1CCNCC1.
What is the InChIKey of [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is ZIZYQIQCIGCCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-13-10-21-18(22-11-13)26-14-2-4-15-12(9-14)1-3-16(23-15)17(25)24-7-5-20-6-8-24/h1-4,9-11,20H,5-8H2.
What are the key properties of [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone?
[6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 353.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoropyrimidin-2-yl)oxyquinolin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118273484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).