8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline

C26H22N4O — CID 70813289

IUPAC8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline
SMILESCc1cc(-c2cn(C)nc2COc2ccc(-c3cccc4cccnc34)cc2)ccn1
InChIInChI=1S/C26H22N4O/c1-18-15-21(12-14-27-18)24-16-30(2)29-25(24)17-31-22-10-8-19(9-11-22)23-7-3-5-20-6-4-13-28-26(20)23/h3-16H,17H2,1-2H3
InChIKeyYAQQHOZPHYJSQT-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.58
Rot. Bonds5

About 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline

8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline (PubChem CID 70813289) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline
PubChem CID70813289
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline
SMILESCc1cc(-c2cn(C)nc2COc2ccc(-c3cccc4cccnc34)cc2)ccn1
InChIInChI=1S/C26H22N4O/c1-18-15-21(12-14-27-18)24-16-30(2)29-25(24)17-31-22-10-8-19(9-11-22)23-7-3-5-20-6-4-13-28-26(20)23/h3-16H,17H2,1-2H3
InChIKeyYAQQHOZPHYJSQT-UHFFFAOYSA-N
XLogP5.58
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]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 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline?
The IUPAC name of 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline (CID 70813289) is 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline.
What is the SMILES notation for 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline?
The canonical SMILES for 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline is Cc1cc(-c2cn(C)nc2COc2ccc(-c3cccc4cccnc34)cc2)ccn1.
What is the InChIKey of 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline?
The InChIKey is YAQQHOZPHYJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-18-15-21(12-14-27-18)24-16-30(2)29-25(24)17-31-22-10-8-19(9-11-22)23-7-3-5-20-6-4-13-28-26(20)23/h3-16H,17H2,1-2H3.
What are the key properties of 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline?
8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline has a molecular weight of 406.49 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[1-methyl-4-(2-methyl-4-pyridinyl)pyrazol-3-yl]methoxy]phenyl]quinoline is sourced from PubChem (CID 70813289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).