6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline

C18H19FN4 — CID 86773477

IUPAC6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
SMILESFc1cc(CN2CCC(c3cn[nH]c3)CC2)c2ncccc2c1
InChIInChI=1S/C18H19FN4/c19-17-8-14-2-1-5-20-18(14)15(9-17)12-23-6-3-13(4-7-23)16-10-21-22-11-16/h1-2,5,8-11,13H,3-4,6-7,12H2,(H,21,22)
InChIKeySBZNHCFQXCMMKB-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.48
Rot. Bonds3

About 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline

6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 86773477) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
PubChem CID86773477
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline
SMILESFc1cc(CN2CCC(c3cn[nH]c3)CC2)c2ncccc2c1
InChIInChI=1S/C18H19FN4/c19-17-8-14-2-1-5-20-18(14)15(9-17)12-23-6-3-13(4-7-23)16-10-21-22-11-16/h1-2,5,8-11,13H,3-4,6-7,12H2,(H,21,22)
InChIKeySBZNHCFQXCMMKB-UHFFFAOYSA-N
XLogP3.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline (CID 86773477) is 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline is Fc1cc(CN2CCC(c3cn[nH]c3)CC2)c2ncccc2c1.
What is the InChIKey of 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is SBZNHCFQXCMMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-17-8-14-2-1-5-20-18(14)15(9-17)12-23-6-3-13(4-7-23)16-10-21-22-11-16/h1-2,5,8-11,13H,3-4,6-7,12H2,(H,21,22).
What are the key properties of 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline?
6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 310.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-[[4-(1H-pyrazol-4-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 86773477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).