8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline

C24H22FN5O — CID 56554033

IUPAC8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
SMILESFc1ccc(Oc2ccnc(N3CCN(Cc4cccc5cccnc45)CC3)n2)cc1
InChIInChI=1S/C24H22FN5O/c25-20-6-8-21(9-7-20)31-22-10-12-27-24(28-22)30-15-13-29(14-16-30)17-19-4-1-3-18-5-2-11-26-23(18)19/h1-12H,13-17H2
InChIKeyHMYFQILQTIBBBX-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.28
Rot. Bonds5

About 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline

8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline (PubChem CID 56554033) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
PubChem CID56554033
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline
SMILESFc1ccc(Oc2ccnc(N3CCN(Cc4cccc5cccnc45)CC3)n2)cc1
InChIInChI=1S/C24H22FN5O/c25-20-6-8-21(9-7-20)31-22-10-12-27-24(28-22)30-15-13-29(14-16-30)17-19-4-1-3-18-5-2-11-26-23(18)19/h1-12H,13-17H2
InChIKeyHMYFQILQTIBBBX-UHFFFAOYSA-N
XLogP4.28
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]quinoline
CID 18131319
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
4-(4-fluorophenoxy)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]pyrimidine
CID 56574204
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-[4-(4-fluorophenoxy)pyrimidin-2-yl]-4-methylazepane
CID 56574045
4-(4-fluorophenoxy)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 56575886
8-chloro-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]quinoline
CID 146025679
(4-ethylphenyl)-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 56575190
1-[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56554199

Frequently Asked Questions

What is the IUPAC name of 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline (CID 56554033) is 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline is Fc1ccc(Oc2ccnc(N3CCN(Cc4cccc5cccnc45)CC3)n2)cc1.
What is the InChIKey of 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline?
The InChIKey is HMYFQILQTIBBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-20-6-8-21(9-7-20)31-22-10-12-27-24(28-22)30-15-13-29(14-16-30)17-19-4-1-3-18-5-2-11-26-23(18)19/h1-12H,13-17H2.
What are the key properties of 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline?
8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline has a molecular weight of 415.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[4-(4-fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]methyl]quinoline is sourced from PubChem (CID 56554033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).