6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

C26H19N3O2 — CID 122196393

IUPAC6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2cccnc2)[nH]1
InChIInChI=1S/C26H19N3O2/c30-25-14-13-23(26(29-25)20-5-3-15-27-16-20)18-8-11-22(12-9-18)31-17-21-10-7-19-4-1-2-6-24(19)28-21/h1-16H,17H2,(H,29,30)
InChIKeySKIKOPHEAASQHT-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.23
Rot. Bonds5

About 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one

6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (PubChem CID 122196393) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
PubChem CID122196393
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2cccnc2)[nH]1
InChIInChI=1S/C26H19N3O2/c30-25-14-13-23(26(29-25)20-5-3-15-27-16-20)18-8-11-22(12-9-18)31-17-21-10-7-19-4-1-2-6-24(19)28-21/h1-16H,17H2,(H,29,30)
InChIKeySKIKOPHEAASQHT-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 6-pyridin-3-yl-5-[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 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The IUPAC name of 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one (CID 122196393) is 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)c(-c2cccnc2)[nH]1.
What is the InChIKey of 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
The InChIKey is SKIKOPHEAASQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c30-25-14-13-23(26(29-25)20-5-3-15-27-16-20)18-8-11-22(12-9-18)31-17-21-10-7-19-4-1-2-6-24(19)28-21/h1-16H,17H2,(H,29,30).
What are the key properties of 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one?
6-pyridin-3-yl-5-[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 6-pyridin-3-yl-5-[4-(quinolin-2-ylmethoxy)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 122196393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).