5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

C26H19N3O2 — CID 122196412

IUPAC5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)[nH]1
InChIInChI=1S/C26H19N3O2/c30-25-12-11-23(18-13-15-27-16-14-18)26(29-25)20-6-9-22(10-7-20)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30)
InChIKeyPKRLBSCDYBXIAH-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.23
Rot. Bonds5

About 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 122196412) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
PubChem CID122196412
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)[nH]1
InChIInChI=1S/C26H19N3O2/c30-25-12-11-23(18-13-15-27-16-14-18)26(29-25)20-6-9-22(10-7-20)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30)
InChIKeyPKRLBSCDYBXIAH-UHFFFAOYSA-N
XLogP5.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (CID 122196412) is 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccncc2)c(-c2ccc(OCc3ccc4ccccc4n3)cc2)[nH]1.
What is the InChIKey of 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is PKRLBSCDYBXIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-25-12-11-23(18-13-15-27-16-14-18)26(29-25)20-6-9-22(10-7-20)31-17-21-8-5-19-3-1-2-4-24(19)28-21/h1-16H,17H2,(H,29,30).
What are the key properties of 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one has a molecular weight of 405.46 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-6-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).