1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one

C22H16N4O5S — CID 135541373

IUPAC1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
SMILESO=c1c(C2=NS(=O)(=O)c3ccc(O)cc3N2)c(O)c2cccnc2n1Cc1ccccc1
InChIInChI=1S/C22H16N4O5S/c27-14-8-9-17-16(11-14)24-20(25-32(17,30)31)18-19(28)15-7-4-10-23-21(15)26(22(18)29)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2,(H,24,25)
InChIKeyDICKVVHGRXCLGO-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.42
Rot. Bonds3

About 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one

1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one (PubChem CID 135541373) has the molecular formula C22H16N4O5S and a molecular weight of 448.46 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
PubChem CID135541373
Molecular FormulaC22H16N4O5S
Molecular Weight448.46 g/mol
Exact Mass448.08
IUPAC Name1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
SMILESO=c1c(C2=NS(=O)(=O)c3ccc(O)cc3N2)c(O)c2cccnc2n1Cc1ccccc1
InChIInChI=1S/C22H16N4O5S/c27-14-8-9-17-16(11-14)24-20(25-32(17,30)31)18-19(28)15-7-4-10-23-21(15)26(22(18)29)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2,(H,24,25)
InChIKeyDICKVVHGRXCLGO-UHFFFAOYSA-N
XLogP2.42
TPSA133.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
CID 135517454
4-(aminomethyl)-1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
CID 10433645
1-(1-benzothiophen-2-ylmethyl)-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
CID 135488023
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
1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,7-naphthyridin-2-one
CID 135525376
1-benzyl-4-chloro-3-(1,1-dihydroxy-4H-1λ4,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
CID 67063227
1-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
CID 135444752
3-(1,1-dioxo-7-propyl-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-1,8-naphthyridin-2-one
CID 174487454
1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one
CID 135507263
1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-6-methyl-5-phenylpyridin-2-one
CID 135405025
4-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]sulfamoylamino]benzoic acid
CID 135410976
1-(4-aminobutyl)-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxyquinolin-2-one
CID 135525568

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one (CID 135541373) is 1-benzyl-4-hydroxy-3-(6-hydroxy-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-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one is O=c1c(C2=NS(=O)(=O)c3ccc(O)cc3N2)c(O)c2cccnc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
The InChIKey is DICKVVHGRXCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O5S/c27-14-8-9-17-16(11-14)24-20(25-32(17,30)31)18-19(28)15-7-4-10-23-21(15)26(22(18)29)12-13-5-2-1-3-6-13/h1-11,27-28H,12H2,(H,24,25).
What are the key properties of 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one?
1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one has a molecular weight of 448.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 135541373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).