2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one

C24H16N2OS — CID 173038182

IUPAC2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cccs2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C24H16N2OS/c27-24-19-14-18(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)26-23(19)20(15-25-24)21-12-7-13-28-21/h1-15H,(H,25,27)
InChIKeyUYTYPUIUTMNQAY-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.99
Rot. Bonds3

About 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one

2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one (PubChem CID 173038182) has the molecular formula C24H16N2OS and a molecular weight of 380.47 g/mol. Its IUPAC name is 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
PubChem CID173038182
Molecular FormulaC24H16N2OS
Molecular Weight380.47 g/mol
Exact Mass380.10
IUPAC Name2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cccs2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C24H16N2OS/c27-24-19-14-18(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)26-23(19)20(15-25-24)21-12-7-13-28-21/h1-15H,(H,25,27)
InChIKeyUYTYPUIUTMNQAY-UHFFFAOYSA-N
XLogP5.99
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one (CID 173038182) is 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one is O=c1[nH]cc(-c2cccs2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one?
The InChIKey is UYTYPUIUTMNQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2OS/c27-24-19-14-18(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)26-23(19)20(15-25-24)21-12-7-13-28-21/h1-15H,(H,25,27).
What are the key properties of 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one?
2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one has a molecular weight of 380.47 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 173038182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).