3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one

C21H16N4O4S2 — CID 135530124

IUPAC3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one
SMILESCc1nc(Cn2c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c(O)c3ccccc32)cs1
InChIInChI=1S/C21H16N4O4S2/c1-12-22-13(11-30-12)10-25-16-8-4-2-6-14(16)19(26)18(21(25)27)20-23-15-7-3-5-9-17(15)31(28,29)24-20/h2-9,11,26H,10H2,1H3,(H,23,24)
InChIKeyCEWAUQVQLFBMHH-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.08
Rot. Bonds3

About 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one

3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one (PubChem CID 135530124) has the molecular formula C21H16N4O4S2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one.

Molecular Properties

Compound Name3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one
PubChem CID135530124
Molecular FormulaC21H16N4O4S2
Molecular Weight452.52 g/mol
Exact Mass452.06
IUPAC Name3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one
SMILESCc1nc(Cn2c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c(O)c3ccccc32)cs1
InChIInChI=1S/C21H16N4O4S2/c1-12-22-13(11-30-12)10-25-16-8-4-2-6-14(16)19(26)18(21(25)27)20-23-15-7-3-5-9-17(15)31(28,29)24-20/h2-9,11,26H,10H2,1H3,(H,23,24)
InChIKeyCEWAUQVQLFBMHH-UHFFFAOYSA-N
XLogP3.08
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-aminobutyl)-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxyquinolin-2-one
CID 135525568
1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,7-naphthyridin-2-one
CID 135525376
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-6-methyl-1-(3-methylbutyl)quinolin-2-one
CID 135530458
3-(1-benzyl-2-methylindol-3-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 57403607
1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,8-naphthyridin-2-one
CID 135517454
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
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
1-benzyl-4-hydroxy-3-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
CID 135541373
1-[(2-methyl-1,3-thiazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55177822
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1-(3-methylbutyl)quinazoline-2,4-dione
CID 11538841
3-(1,1-dihydroxy-4H-1λ4,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[[(3R)-3-methylcyclohexylidene]amino]quinolin-2-one
CID 173042987

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one?
The IUPAC name of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one (CID 135530124) is 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one.
What is the SMILES notation for 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one?
The canonical SMILES for 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one is Cc1nc(Cn2c(=O)c(C3=NS(=O)(=O)c4ccccc4N3)c(O)c3ccccc32)cs1.
What is the InChIKey of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one?
The InChIKey is CEWAUQVQLFBMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O4S2/c1-12-22-13(11-30-12)10-25-16-8-4-2-6-14(16)19(26)18(21(25)27)20-23-15-7-3-5-9-17(15)31(28,29)24-20/h2-9,11,26H,10H2,1H3,(H,23,24).
What are the key properties of 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one?
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one has a molecular weight of 452.52 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-2-one is sourced from PubChem (CID 135530124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).