8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline

C20H22FN5 — CID 86868224

IUPAC8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline
SMILESCc1cc(N2CCN(Cc3cc(F)cc4cccnc34)CC2)nc(C)n1
InChIInChI=1S/C20H22FN5/c1-14-10-19(24-15(2)23-14)26-8-6-25(7-9-26)13-17-12-18(21)11-16-4-3-5-22-20(16)17/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyDZKKDLJKKBEHFU-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.10
Rot. Bonds3

About 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline

8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline (PubChem CID 86868224) has the molecular formula C20H22FN5 and a molecular weight of 351.43 g/mol. Its IUPAC name is 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline
PubChem CID86868224
Molecular FormulaC20H22FN5
Molecular Weight351.43 g/mol
Exact Mass351.19
IUPAC Name8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline
SMILESCc1cc(N2CCN(Cc3cc(F)cc4cccnc34)CC2)nc(C)n1
InChIInChI=1S/C20H22FN5/c1-14-10-19(24-15(2)23-14)26-8-6-25(7-9-26)13-17-12-18(21)11-16-4-3-5-22-20(16)17/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyDZKKDLJKKBEHFU-UHFFFAOYSA-N
XLogP3.10
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline with MolForge

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Related Compounds

4-methyl-2-methylsulfanyl-6-[4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrimidine
CID 171337761
1-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-2-methoxyethanone
CID 56813387
8-[[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 46405422
1-chloro-3-[4-(quinolin-8-ylmethyl)piperazin-1-yl]isoquinoline
CID 134017908
8-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 17451460
[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 33216209
4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 46405686
4-[4-[(6-fluoroquinolin-8-yl)methyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55625793
8-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-6-fluoroquinoline
CID 55625872
1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
CID 97185355
8-[[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-5-fluoroquinoline
CID 86895318
8-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]quinoline
CID 18168047

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline?
The IUPAC name of 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline (CID 86868224) is 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline?
The canonical SMILES for 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline is Cc1cc(N2CCN(Cc3cc(F)cc4cccnc34)CC2)nc(C)n1.
What is the InChIKey of 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline?
The InChIKey is DZKKDLJKKBEHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5/c1-14-10-19(24-15(2)23-14)26-8-6-25(7-9-26)13-17-12-18(21)11-16-4-3-5-22-20(16)17/h3-5,10-12H,6-9,13H2,1-2H3.
What are the key properties of 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline?
8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline has a molecular weight of 351.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-6-fluoroquinoline is sourced from PubChem (CID 86868224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).