5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline

C26H25FN4O — CID 4702096

IUPAC5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline
SMILESFc1ccc(N2CCN(Cc3ccc(OCc4ccccn4)c4ncccc34)CC2)cc1
InChIInChI=1S/C26H25FN4O/c27-21-7-9-23(10-8-21)31-16-14-30(15-17-31)18-20-6-11-25(26-24(20)5-3-13-29-26)32-19-22-4-1-2-12-28-22/h1-13H,14-19H2
InChIKeyYKUJPJCBJOHRBC-UHFFFAOYSA-N
MW428.51 g/mol
LogP4.67
Rot. Bonds6

About 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline

5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline (PubChem CID 4702096) has the molecular formula C26H25FN4O and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline.

Molecular Properties

Compound Name5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline
PubChem CID4702096
Molecular FormulaC26H25FN4O
Molecular Weight428.51 g/mol
Exact Mass428.20
IUPAC Name5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline
SMILESFc1ccc(N2CCN(Cc3ccc(OCc4ccccn4)c4ncccc34)CC2)cc1
InChIInChI=1S/C26H25FN4O/c27-21-7-9-23(10-8-21)31-16-14-30(15-17-31)18-20-6-11-25(26-24(20)5-3-13-29-26)32-19-22-4-1-2-12-28-22/h1-13H,14-19H2
InChIKeyYKUJPJCBJOHRBC-UHFFFAOYSA-N
XLogP4.67
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline?
The IUPAC name of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline (CID 4702096) is 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline.
What is the SMILES notation for 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline?
The canonical SMILES for 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline is Fc1ccc(N2CCN(Cc3ccc(OCc4ccccn4)c4ncccc34)CC2)cc1.
What is the InChIKey of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline?
The InChIKey is YKUJPJCBJOHRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O/c27-21-7-9-23(10-8-21)31-16-14-30(15-17-31)18-20-6-11-25(26-24(20)5-3-13-29-26)32-19-22-4-1-2-12-28-22/h1-13H,14-19H2.
What are the key properties of 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline?
5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline has a molecular weight of 428.51 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-8-(pyridin-2-ylmethoxy)quinoline is sourced from PubChem (CID 4702096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).