6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one

C22H14N4O — CID 69175894

IUPAC6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C22H14N4O/c27-21-6-10-25-22-19(21)12-16(13-26-22)15-1-2-20-18(11-15)17(5-9-24-20)14-3-7-23-8-4-14/h1-13H,(H,25,26,27)
InChIKeyGYGMKSARBUHIAU-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.20
Rot. Bonds2

About 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one

6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one (PubChem CID 69175894) has the molecular formula C22H14N4O and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one
PubChem CID69175894
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Name6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12
InChIInChI=1S/C22H14N4O/c27-21-6-10-25-22-19(21)12-16(13-26-22)15-1-2-20-18(11-15)17(5-9-24-20)14-3-7-23-8-4-14/h1-13H,(H,25,26,27)
InChIKeyGYGMKSARBUHIAU-UHFFFAOYSA-N
XLogP4.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one (CID 69175894) is 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12.
What is the InChIKey of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one?
The InChIKey is GYGMKSARBUHIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c27-21-6-10-25-22-19(21)12-16(13-26-22)15-1-2-20-18(11-15)17(5-9-24-20)14-3-7-23-8-4-14/h1-13H,(H,25,26,27).
What are the key properties of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one?
6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one has a molecular weight of 350.38 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 69175894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).