2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline

C26H20N4O — CID 11495114

IUPAC2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline
SMILESCc1ncc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C26H20N4O/c1-18-28-16-24(19-12-14-27-15-13-19)26(29-18)21-7-10-23(11-8-21)31-17-22-9-6-20-4-2-3-5-25(20)30-22/h2-16H,17H2,1H3
InChIKeyGIFAHWUNLKIYPK-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.64
Rot. Bonds5

About 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline

2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline (PubChem CID 11495114) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline
PubChem CID11495114
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline
SMILESCc1ncc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C26H20N4O/c1-18-28-16-24(19-12-14-27-15-13-19)26(29-18)21-7-10-23(11-8-21)31-17-22-9-6-20-4-2-3-5-25(20)30-22/h2-16H,17H2,1H3
InChIKeyGIFAHWUNLKIYPK-UHFFFAOYSA-N
XLogP5.64
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline?
The IUPAC name of 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline (CID 11495114) is 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline is Cc1ncc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)n1.
What is the InChIKey of 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline?
The InChIKey is GIFAHWUNLKIYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c1-18-28-16-24(19-12-14-27-15-13-19)26(29-18)21-7-10-23(11-8-21)31-17-22-9-6-20-4-2-3-5-25(20)30-22/h2-16H,17H2,1H3.
What are the key properties of 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline?
2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline has a molecular weight of 404.47 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)phenoxy]methyl]quinoline is sourced from PubChem (CID 11495114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).