1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one

C24H20N4O5S — CID 135474739

IUPAC1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
SMILESCOc1ccc(C)c2c1S(=O)(=O)N=C(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)N2
InChIInChI=1S/C24H20N4O5S/c1-14-10-11-17(33-2)21-19(14)26-22(27-34(21,31)32)18-20(29)16-9-6-12-25-23(16)28(24(18)30)13-15-7-4-3-5-8-15/h3-12,29H,13H2,1-2H3,(H,26,27)
InChIKeyOHNZGERJSNNTCK-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.03
Rot. Bonds4

About 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one

1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one (PubChem CID 135474739) has the molecular formula C24H20N4O5S and a molecular weight of 476.51 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
PubChem CID135474739
Molecular FormulaC24H20N4O5S
Molecular Weight476.51 g/mol
Exact Mass476.12
IUPAC Name1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
SMILESCOc1ccc(C)c2c1S(=O)(=O)N=C(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)N2
InChIInChI=1S/C24H20N4O5S/c1-14-10-11-17(33-2)21-19(14)26-22(27-34(21,31)32)18-20(29)16-9-6-12-25-23(16)28(24(18)30)13-15-7-4-3-5-8-15/h3-12,29H,13H2,1-2H3,(H,26,27)
InChIKeyOHNZGERJSNNTCK-UHFFFAOYSA-N
XLogP3.03
TPSA122.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one (CID 135474739) is 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one is COc1ccc(C)c2c1S(=O)(=O)N=C(c1c(O)c3cccnc3n(Cc3ccccc3)c1=O)N2.
What is the InChIKey of 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
The InChIKey is OHNZGERJSNNTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5S/c1-14-10-11-17(33-2)21-19(14)26-22(27-34(21,31)32)18-20(29)16-9-6-12-25-23(16)28(24(18)30)13-15-7-4-3-5-8-15/h3-12,29H,13H2,1-2H3,(H,26,27).
What are the key properties of 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one has a molecular weight of 476.51 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-(8-methoxy-5-methyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 135474739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).