6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

C24H24N4O2S — CID 29150986

About 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one

6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 29150986) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

• Compound Name: 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
• PubChem CID: 29150986
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
• SMILES: COc1ccccc1Cc1cc2c(n(C)c1=O)CCN(Cc1ccc3nsnc3c1)C2
• InChI: InChI=1S/C24H24N4O2S/c1-27-22-9-10-28(14-16-7-8-20-21(11-16)26-31-25-20)15-19(22)13-18(24(27)29)12-17-5-3-4-6-23(17)30-2/h3-8,11,13H,9-10,12,14-15H2,1-2H3
• InChIKey: UAZMNALWXGBTPF-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 60.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The IUPAC name of 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 29150986) is 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

What is the SMILES notation for 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The canonical SMILES for 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is COc1ccccc1Cc1cc2c(n(C)c1=O)CCN(Cc1ccc3nsnc3c1)C2.

What is the InChIKey of 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

The InChIKey is UAZMNALWXGBTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-27-22-9-10-28(14-16-7-8-20-21(11-16)26-31-25-20)15-19(22)13-18(24(27)29)12-17-5-3-4-6-23(17)30-2/h3-8,11,13H,9-10,12,14-15H2,1-2H3.

What are the key properties of 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one?

6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 432.55 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,1,3-benzothiadiazol-5-ylmethyl)-3-[(2-methoxyphenyl)methyl]-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 29150986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).