6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one

C22H14N4O — CID 59860116

IUPAC6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)cnc2[nH]1
InChIInChI=1S/C22H14N4O/c27-21-4-2-16-11-17(13-25-22(16)26-21)15-1-3-20-19(12-15)18(7-10-24-20)14-5-8-23-9-6-14/h1-13H,(H,25,26,27)
InChIKeyHMDRSKFZHOZVPY-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.20
Rot. Bonds2

About 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one

6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one (PubChem CID 59860116) 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-2-one.

Molecular Properties

Compound Name6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one
PubChem CID59860116
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Name6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)cnc2[nH]1
InChIInChI=1S/C22H14N4O/c27-21-4-2-16-11-17(13-25-22(16)26-21)15-1-3-20-19(12-15)18(7-10-24-20)14-5-8-23-9-6-14/h1-13H,(H,25,26,27)
InChIKeyHMDRSKFZHOZVPY-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-2-one?
The IUPAC name of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one (CID 59860116) is 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one is O=c1ccc2cc(-c3ccc4nccc(-c5ccncc5)c4c3)cnc2[nH]1.
What is the InChIKey of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one?
The InChIKey is HMDRSKFZHOZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c27-21-4-2-16-11-17(13-25-22(16)26-21)15-1-3-20-19(12-15)18(7-10-24-20)14-5-8-23-9-6-14/h1-13H,(H,25,26,27).
What are the key properties of 6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-one?
6-(4-pyridin-4-ylquinolin-6-yl)-1H-1,8-naphthyridin-2-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-2-one is sourced from PubChem (CID 59860116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).