6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline

C25H24FN5O — CID 11327850

IUPAC6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline
SMILESC[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc4ncccc4c3)ncn2)CC1
InChIInChI=1S/C25H24FN5O/c1-18(19-4-6-21(26)7-5-19)30-11-13-31(14-12-30)24-16-25(29-17-28-24)32-22-8-9-23-20(15-22)3-2-10-27-23/h2-10,15-18H,11-14H2,1H3/t18-/m0/s1
InChIKeyVBJBXWKGGSXBTF-SFHVURJKSA-N
MW429.50 g/mol
LogP4.84
Rot. Bonds5

About 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline

6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline (PubChem CID 11327850) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline.

Molecular Properties

Compound Name6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline
PubChem CID11327850
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline
SMILESC[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc4ncccc4c3)ncn2)CC1
InChIInChI=1S/C25H24FN5O/c1-18(19-4-6-21(26)7-5-19)30-11-13-31(14-12-30)24-16-25(29-17-28-24)32-22-8-9-23-20(15-22)3-2-10-27-23/h2-10,15-18H,11-14H2,1H3/t18-/m0/s1
InChIKeyVBJBXWKGGSXBTF-SFHVURJKSA-N
XLogP4.84
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-dihydrobenzimidazol-2-one
CID 11154771
N-[4-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
CID 11317868
4-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-3a,7a-dihydro-3H-indole
CID 90872968
6-quinolin-6-yloxypyrimidine-4-carboxylic acid
CID 116820273
4-(4-benzylpiperazin-1-yl)-6-(4-fluorophenoxy)pyrimidine
CID 83289215
7-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinoline
CID 118911329
4-(3-fluorophenoxy)-6-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidine
CID 83284609
4-ethoxy-6-[4-[(1R)-1-pyridin-2-ylethyl]piperazin-1-yl]pyrimidine
CID 99627124
4-(3,4-difluorophenoxy)-6-piperazin-1-ylpyrimidine
CID 24716048
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-amine
CID 68880108
6-[1-[4-(5-methylsulfanyl-2-pyridinyl)piperazin-1-yl]ethyl]quinoxaline
CID 130377123
1-[1-(4-fluorophenyl)ethyl]-4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazine
CID 102561846

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline?
The IUPAC name of 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline (CID 11327850) is 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline.
What is the SMILES notation for 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline?
The canonical SMILES for 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline is C[C@@H](c1ccc(F)cc1)N1CCN(c2cc(Oc3ccc4ncccc4c3)ncn2)CC1.
What is the InChIKey of 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline?
The InChIKey is VBJBXWKGGSXBTF-SFHVURJKSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-18(19-4-6-21(26)7-5-19)30-11-13-31(14-12-30)24-16-25(29-17-28-24)32-22-8-9-23-20(15-22)3-2-10-27-23/h2-10,15-18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline?
6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline has a molecular weight of 429.50 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-[(1S)-1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxyquinoline is sourced from PubChem (CID 11327850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).