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

C24H18N4O — CID 11610553

IUPAC2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(-c4[nH]ncc4-c4ccncc4)cc3)ccc2c1
InChIInChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28)
InChIKeyVRWJZGHUCOFGPZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.27
Rot. Bonds5

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

2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline (PubChem CID 11610553) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
PubChem CID11610553
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline
SMILESc1ccc2nc(COc3ccc(-c4[nH]ncc4-c4ccncc4)cc3)ccc2c1
InChIInChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28)
InChIKeyVRWJZGHUCOFGPZ-UHFFFAOYSA-N
XLogP5.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline (CID 11610553) is 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline is c1ccc2nc(COc3ccc(-c4[nH]ncc4-c4ccncc4)cc3)ccc2c1.
What is the InChIKey of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
The InChIKey is VRWJZGHUCOFGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-2-4-23-18(3-1)5-8-20(27-23)16-29-21-9-6-19(7-10-21)24-22(15-26-28-24)17-11-13-25-14-12-17/h1-15H,16H2,(H,26,28).
What are the key properties of 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline?
2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline has a molecular weight of 378.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11610553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).