2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline

C25H18FN3O — CID 24829679

IUPAC2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline
SMILESFc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C25H18FN3O/c26-20-10-5-17(6-11-20)23-15-27-29-25(23)19-8-13-22(14-9-19)30-16-21-12-7-18-3-1-2-4-24(18)28-21/h1-15H,16H2,(H,27,29)
InChIKeyRWNPYZUGXBPMIY-UHFFFAOYSA-N
MW395.44 g/mol
LogP6.01
Rot. Bonds5

About 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline

2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline (PubChem CID 24829679) has the molecular formula C25H18FN3O and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline
PubChem CID24829679
Molecular FormulaC25H18FN3O
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline
SMILESFc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C25H18FN3O/c26-20-10-5-17(6-11-20)23-15-27-29-25(23)19-8-13-22(14-9-19)30-16-21-12-7-18-3-1-2-4-24(18)28-21/h1-15H,16H2,(H,27,29)
InChIKeyRWNPYZUGXBPMIY-UHFFFAOYSA-N
XLogP6.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline (CID 24829679) is 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline is Fc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline?
The InChIKey is RWNPYZUGXBPMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O/c26-20-10-5-17(6-11-20)23-15-27-29-25(23)19-8-13-22(14-9-19)30-16-21-12-7-18-3-1-2-4-24(18)28-21/h1-15H,16H2,(H,27,29).
What are the key properties of 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline?
2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline has a molecular weight of 395.44 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 24829679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).