2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline

C24H17FN4O — CID 11582023

IUPAC2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
SMILESFc1cc(OCc2ccc3ccccc3n2)ccc1-c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C24H17FN4O/c25-22-13-19(30-15-18-6-5-17-3-1-2-4-23(17)28-18)7-8-20(22)24-21(14-27-29-24)16-9-11-26-12-10-16/h1-14H,15H2,(H,27,29)
InChIKeyVXZDAYNHUOIVSC-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.41
Rot. Bonds5

About 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline

2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline (PubChem CID 11582023) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
PubChem CID11582023
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
SMILESFc1cc(OCc2ccc3ccccc3n2)ccc1-c1[nH]ncc1-c1ccncc1
InChIInChI=1S/C24H17FN4O/c25-22-13-19(30-15-18-6-5-17-3-1-2-4-23(17)28-18)7-8-20(22)24-21(14-27-29-24)16-9-11-26-12-10-16/h1-14H,15H2,(H,27,29)
InChIKeyVXZDAYNHUOIVSC-UHFFFAOYSA-N
XLogP5.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline (CID 11582023) is 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline is Fc1cc(OCc2ccc3ccccc3n2)ccc1-c1[nH]ncc1-c1ccncc1.
What is the InChIKey of 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The InChIKey is VXZDAYNHUOIVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-22-13-19(30-15-18-6-5-17-3-1-2-4-23(17)28-18)7-8-20(22)24-21(14-27-29-24)16-9-11-26-12-10-16/h1-14H,15H2,(H,27,29).
What are the key properties of 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline has a molecular weight of 396.43 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-fluoro-4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11582023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).