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

C26H22N4O2 — CID 90665375

IUPAC5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCOc1cccc2nc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)ccc12
InChIInChI=1S/C26H22N4O2/c1-30-16-23(18-12-14-27-15-13-18)26(29-30)19-6-9-21(10-7-19)32-17-20-8-11-22-24(28-20)4-3-5-25(22)31-2/h3-16H,17H2,1-2H3
InChIKeyHHXGFVGBIHLXOB-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.28
Rot. Bonds6

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

5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline (PubChem CID 90665375) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
PubChem CID90665375
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
SMILESCOc1cccc2nc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)ccc12
InChIInChI=1S/C26H22N4O2/c1-30-16-23(18-12-14-27-15-13-18)26(29-30)19-6-9-21(10-7-19)32-17-20-8-11-22-24(28-20)4-3-5-25(22)31-2/h3-16H,17H2,1-2H3
InChIKeyHHXGFVGBIHLXOB-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

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The IUPAC name of 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline (CID 90665375) is 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline is COc1cccc2nc(COc3ccc(-c4nn(C)cc4-c4ccncc4)cc3)ccc12.
What is the InChIKey of 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
The InChIKey is HHXGFVGBIHLXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-30-16-23(18-12-14-27-15-13-18)26(29-30)19-6-9-21(10-7-19)32-17-20-8-11-22-24(28-20)4-3-5-25(22)31-2/h3-16H,17H2,1-2H3.
What are the key properties of 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline?
5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-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 5-methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 90665375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).