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

C26H22N4O2 — CID 90668361

IUPAC3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
SMILESCOc1cc2ccccc2nc1COc1ccc(-c2c(-c3ccncc3)cnn2C)cc1
InChIInChI=1S/C26H22N4O2/c1-30-26(22(16-28-30)18-11-13-27-14-12-18)19-7-9-21(10-8-19)32-17-24-25(31-2)15-20-5-3-4-6-23(20)29-24/h3-16H,17H2,1-2H3
InChIKeyLNSQBMKWXGWPJW-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.28
Rot. Bonds6

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

3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline (PubChem CID 90668361) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
PubChem CID90668361
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
SMILESCOc1cc2ccccc2nc1COc1ccc(-c2c(-c3ccncc3)cnn2C)cc1
InChIInChI=1S/C26H22N4O2/c1-30-26(22(16-28-30)18-11-13-27-14-12-18)19-7-9-21(10-8-19)32-17-24-25(31-2)15-20-5-3-4-6-23(20)29-24/h3-16H,17H2,1-2H3
InChIKeyLNSQBMKWXGWPJW-UHFFFAOYSA-N
XLogP5.28
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
Jsm-10292
CID 25019714
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
1-(4-Methyl-piperazin-1-yl)-2-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-quinolin-7-yloxy]-ethanone
CID 10276818
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
Pyrazole, 16
CID 11567059
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
LY2109761
CID 11655119
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
The IUPAC name of 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline (CID 90668361) is 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline is COc1cc2ccccc2nc1COc1ccc(-c2c(-c3ccncc3)cnn2C)cc1.
What is the InChIKey of 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
The InChIKey is LNSQBMKWXGWPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-30-26(22(16-28-30)18-11-13-27-14-12-18)19-7-9-21(10-8-19)32-17-24-25(31-2)15-20-5-3-4-6-23(20)29-24/h3-16H,17H2,1-2H3.
What are the key properties of 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline?
3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline has a molecular weight of 422.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 90668361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).