1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one

C26H22N4O2 — CID 66555959

IUPAC1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2ccc(=O)n(C)c2)c(COc2ccc(-c3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C26H22N4O2/c1-29-15-20(10-14-26(29)31)22-16-30(2)28-25(22)17-32-21-11-7-19(8-12-21)24-13-9-18-5-3-4-6-23(18)27-24/h3-16H,17H2,1-2H3
InChIKeyIQTLAXYGYBJURZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.58
Rot. Bonds5

About 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one

1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 66555959) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one
PubChem CID66555959
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one
SMILESCn1cc(-c2ccc(=O)n(C)c2)c(COc2ccc(-c3ccc4ccccc4n3)cc2)n1
InChIInChI=1S/C26H22N4O2/c1-29-15-20(10-14-26(29)31)22-16-30(2)28-25(22)17-32-21-11-7-19(8-12-21)24-13-9-18-5-3-4-6-23(18)27-24/h3-16H,17H2,1-2H3
InChIKeyIQTLAXYGYBJURZ-UHFFFAOYSA-N
XLogP4.58
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one (CID 66555959) is 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one is Cn1cc(-c2ccc(=O)n(C)c2)c(COc2ccc(-c3ccc4ccccc4n3)cc2)n1.
What is the InChIKey of 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is IQTLAXYGYBJURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-29-15-20(10-14-26(29)31)22-16-30(2)28-25(22)17-32-21-11-7-19(8-12-21)24-13-9-18-5-3-4-6-23(18)27-24/h3-16H,17H2,1-2H3.
What are the key properties of 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one?
1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 422.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-methyl-3-[(4-quinolin-2-ylphenoxy)methyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 66555959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).