2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one

C17H12N2OS — CID 5470948

IUPAC2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3csc4ccccc34)[nH]c2n1
InChIInChI=1S/C17H12N2OS/c1-10-6-7-12-15(20)8-14(19-17(12)18-10)13-9-21-16-5-3-2-4-11(13)16/h2-9H,1H3,(H,18,19,20)
InChIKeyGINJZDYIUXFIFH-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.11
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one

2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one (PubChem CID 5470948) has the molecular formula C17H12N2OS and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
PubChem CID5470948
Molecular FormulaC17H12N2OS
Molecular Weight292.36 g/mol
Exact Mass292.07
IUPAC Name2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(-c3csc4ccccc34)[nH]c2n1
InChIInChI=1S/C17H12N2OS/c1-10-6-7-12-15(20)8-14(19-17(12)18-10)13-9-21-16-5-3-2-4-11(13)16/h2-9H,1H3,(H,18,19,20)
InChIKeyGINJZDYIUXFIFH-UHFFFAOYSA-N
XLogP4.11
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one (CID 5470948) is 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(-c3csc4ccccc34)[nH]c2n1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
The InChIKey is GINJZDYIUXFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2OS/c1-10-6-7-12-15(20)8-14(19-17(12)18-10)13-9-21-16-5-3-2-4-11(13)16/h2-9H,1H3,(H,18,19,20).
What are the key properties of 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one?
2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one has a molecular weight of 292.36 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-7-methyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 5470948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).