3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline

C25H19ClN4O — CID 70813184

IUPAC3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
SMILESCn1cc(-c2ccncc2)c(OCc2ccc(-c3nc4ccccc4cc3Cl)cc2)n1
InChIInChI=1S/C25H19ClN4O/c1-30-15-21(18-10-12-27-13-11-18)25(29-30)31-16-17-6-8-19(9-7-17)24-22(26)14-20-4-2-3-5-23(20)28-24/h2-15H,16H2,1H3
InChIKeyFFQXBOLKGXFOAE-UHFFFAOYSA-N
MW426.91 g/mol
LogP5.93
Rot. Bonds5

About 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline

3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline (PubChem CID 70813184) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline.

Molecular Properties

Compound Name3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
PubChem CID70813184
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC Name3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
SMILESCn1cc(-c2ccncc2)c(OCc2ccc(-c3nc4ccccc4cc3Cl)cc2)n1
InChIInChI=1S/C25H19ClN4O/c1-30-15-21(18-10-12-27-13-11-18)25(29-30)31-16-17-6-8-19(9-7-17)24-22(26)14-20-4-2-3-5-23(20)28-24/h2-15H,16H2,1H3
InChIKeyFFQXBOLKGXFOAE-UHFFFAOYSA-N
XLogP5.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]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 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline?
The IUPAC name of 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline (CID 70813184) is 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline.
What is the SMILES notation for 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline?
The canonical SMILES for 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline is Cn1cc(-c2ccncc2)c(OCc2ccc(-c3nc4ccccc4cc3Cl)cc2)n1.
What is the InChIKey of 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline?
The InChIKey is FFQXBOLKGXFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O/c1-30-15-21(18-10-12-27-13-11-18)25(29-30)31-16-17-6-8-19(9-7-17)24-22(26)14-20-4-2-3-5-23(20)28-24/h2-15H,16H2,1H3.
What are the key properties of 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline?
3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline has a molecular weight of 426.91 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline is sourced from PubChem (CID 70813184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).