4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one

C19H13N3O — CID 59860082

IUPAC4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cc[nH]1
InChIInChI=1S/C19H13N3O/c23-19-12-15(5-9-22-19)14-1-2-18-17(11-14)16(6-10-21-18)13-3-7-20-8-4-13/h1-12H,(H,22,23)
InChIKeyLRFSVUREADRBOA-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.65
Rot. Bonds2

About 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one

4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one (PubChem CID 59860082) has the molecular formula C19H13N3O and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one
PubChem CID59860082
Molecular FormulaC19H13N3O
Molecular Weight299.33 g/mol
Exact Mass299.11
IUPAC Name4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cc[nH]1
InChIInChI=1S/C19H13N3O/c23-19-12-15(5-9-22-19)14-1-2-18-17(11-14)16(6-10-21-18)13-3-7-20-8-4-13/h1-12H,(H,22,23)
InChIKeyLRFSVUREADRBOA-UHFFFAOYSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one (CID 59860082) is 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one is O=c1cc(-c2ccc3nccc(-c4ccncc4)c3c2)cc[nH]1.
What is the InChIKey of 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one?
The InChIKey is LRFSVUREADRBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O/c23-19-12-15(5-9-22-19)14-1-2-18-17(11-14)16(6-10-21-18)13-3-7-20-8-4-13/h1-12H,(H,22,23).
What are the key properties of 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one?
4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one has a molecular weight of 299.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-4-ylquinolin-6-yl)-1H-pyridin-2-one is sourced from PubChem (CID 59860082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).