2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline

C50H40N8O2 — CID 69223834

IUPAC2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline
SMILESCn1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccncc2)n1.Cn1ncc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccncc1
InChIInChI=1S/2C25H20N4O/c1-29-16-23(25(28-29)20-12-14-26-15-13-20)18-7-10-22(11-8-18)30-17-21-9-6-19-4-2-3-5-24(19)27-21;1-29-25(20-12-14-26-15-13-20)23(16-27-29)18-7-10-22(11-8-18)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2*2-16H,17H2,1H3
InChIKeyPFJPPFUSUYKHEM-UHFFFAOYSA-N
MW784.92 g/mol
LogP10.55
Rot. Bonds10

About 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline

2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline (PubChem CID 69223834) has the molecular formula C50H40N8O2 and a molecular weight of 784.92 g/mol. Its IUPAC name is 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline
PubChem CID69223834
Molecular FormulaC50H40N8O2
Molecular Weight784.92 g/mol
Exact Mass784.33
IUPAC Name2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline
SMILESCn1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccncc2)n1.Cn1ncc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccncc1
InChIInChI=1S/2C25H20N4O/c1-29-16-23(25(28-29)20-12-14-26-15-13-20)18-7-10-22(11-8-18)30-17-21-9-6-19-4-2-3-5-24(19)27-21;1-29-25(20-12-14-26-15-13-20)23(16-27-29)18-7-10-22(11-8-18)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2*2-16H,17H2,1H3
InChIKeyPFJPPFUSUYKHEM-UHFFFAOYSA-N
XLogP10.55
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.92
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline (CID 69223834) is 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline is Cn1cc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2ccncc2)n1.Cn1ncc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline?
The InChIKey is PFJPPFUSUYKHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H20N4O/c1-29-16-23(25(28-29)20-12-14-26-15-13-20)18-7-10-22(11-8-18)30-17-21-9-6-19-4-2-3-5-24(19)27-21;1-29-25(20-12-14-26-15-13-20)23(16-27-29)18-7-10-22(11-8-18)30-17-21-9-6-19-4-2-3-5-24(19)28-21/h2*2-16H,17H2,1H3.
What are the key properties of 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline?
2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline has a molecular weight of 784.92 g/mol, XLogP of 10.55, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline;2-[[4-(1-methyl-5-pyridin-4-ylpyrazol-4-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 69223834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).