6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one

C22H14N4O — CID 137423219

IUPAC6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3cnc4ncccc4c3)cc12
InChIInChI=1S/C22H14N4O/c27-19-8-10-24-22-18(19)12-17(20(26-22)14-5-2-1-3-6-14)16-11-15-7-4-9-23-21(15)25-13-16/h1-13H,(H,24,26,27)
InChIKeyVUHNOUUERBJTHR-UHFFFAOYSA-N
MW350.38 g/mol
LogP4.20
Rot. Bonds2

About 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one

6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 137423219) has the molecular formula C22H14N4O and a molecular weight of 350.38 g/mol. Its IUPAC name is 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID137423219
Molecular FormulaC22H14N4O
Molecular Weight350.38 g/mol
Exact Mass350.12
IUPAC Name6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESO=c1cc[nH]c2nc(-c3ccccc3)c(-c3cnc4ncccc4c3)cc12
InChIInChI=1S/C22H14N4O/c27-19-8-10-24-22-18(19)12-17(20(26-22)14-5-2-1-3-6-14)16-11-15-7-4-9-23-21(15)25-13-16/h1-13H,(H,24,26,27)
InChIKeyVUHNOUUERBJTHR-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-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one (CID 137423219) is 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one is O=c1cc[nH]c2nc(-c3ccccc3)c(-c3cnc4ncccc4c3)cc12.
What is the InChIKey of 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is VUHNOUUERBJTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O/c27-19-8-10-24-22-18(19)12-17(20(26-22)14-5-2-1-3-6-14)16-11-15-7-4-9-23-21(15)25-13-16/h1-13H,(H,24,26,27).
What are the key properties of 6-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one?
6-(1,8-naphthyridin-3-yl)-7-phenyl-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-(1,8-naphthyridin-3-yl)-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 137423219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).