3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

C22H20N4O3S — CID 26225884

IUPAC3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1nonc1CC(=O)N1CCc2c(cc(-c3csc4ccccc34)c(=O)n2C)C1
InChIInChI=1S/C22H20N4O3S/c1-13-18(24-29-23-13)10-21(27)26-8-7-19-14(11-26)9-16(22(28)25(19)2)17-12-30-20-6-4-3-5-15(17)20/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyLZPZZFJGBKHGJS-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.09
Rot. Bonds3

About 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26225884) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26225884
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1nonc1CC(=O)N1CCc2c(cc(-c3csc4ccccc34)c(=O)n2C)C1
InChIInChI=1S/C22H20N4O3S/c1-13-18(24-29-23-13)10-21(27)26-8-7-19-14(11-26)9-16(22(28)25(19)2)17-12-30-20-6-4-3-5-15(17)20/h3-6,9,12H,7-8,10-11H2,1-2H3
InChIKeyLZPZZFJGBKHGJS-UHFFFAOYSA-N
XLogP3.09
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26225884) is 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cc1nonc1CC(=O)N1CCc2c(cc(-c3csc4ccccc34)c(=O)n2C)C1.
What is the InChIKey of 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is LZPZZFJGBKHGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-18(24-29-23-13)10-21(27)26-8-7-19-14(11-26)9-16(22(28)25(19)2)17-12-30-20-6-4-3-5-15(17)20/h3-6,9,12H,7-8,10-11H2,1-2H3.
What are the key properties of 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 420.49 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-3-yl)-1-methyl-6-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26225884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).