1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one

C23H18N4O4S — CID 135507263

IUPAC1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one
SMILESCc1cnc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(Cc3ccccc3)c1=O)N2
InChIInChI=1S/C23H18N4O4S/c1-14-11-18-21(24-12-14)25-22(26-32(18,30)31)19-20(28)16-9-5-6-10-17(16)27(23(19)29)13-15-7-3-2-4-8-15/h2-12,28H,13H2,1H3,(H,24,25,26)
InChIKeyYZPGVMWJQMNDED-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.02
Rot. Bonds3

About 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one

1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one (PubChem CID 135507263) has the molecular formula C23H18N4O4S and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one
PubChem CID135507263
Molecular FormulaC23H18N4O4S
Molecular Weight446.49 g/mol
Exact Mass446.10
IUPAC Name1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one
SMILESCc1cnc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(Cc3ccccc3)c1=O)N2
InChIInChI=1S/C23H18N4O4S/c1-14-11-18-21(24-12-14)25-22(26-32(18,30)31)19-20(28)16-9-5-6-10-17(16)27(23(19)29)13-15-7-3-2-4-8-15/h2-12,28H,13H2,1H3,(H,24,25,26)
InChIKeyYZPGVMWJQMNDED-UHFFFAOYSA-N
XLogP3.02
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,7-naphthyridin-2-one
CID 135525376
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-(6-hydroxy-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-1,8-naphthyridin-2-one
CID 135541373
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
3-(1-benzyl-2-methylindol-3-yl)-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 57403607
1-benzyl-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxyquinolin-2-one
CID 135697392
1-benzyl-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-6-methyl-5-phenylpyridin-2-one
CID 135405025
1-(4-aminobutyl)-3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxyquinolin-2-one
CID 135525568
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
3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-6-methyl-1-(3-methylbutyl)quinolin-2-one
CID 135530458
methyl 2-[[3-[4-hydroxy-1-(3-methylbutyl)-2-oxoquinolin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]oxy]acetate
CID 135532914
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one?
The IUPAC name of 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) is 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one is Cc1cnc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(Cc3ccccc3)c1=O)N2.
What is the InChIKey of 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one?
The InChIKey is YZPGVMWJQMNDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S/c1-14-11-18-21(24-12-14)25-22(26-32(18,30)31)19-20(28)16-9-5-6-10-17(16)27(23(19)29)13-15-7-3-2-4-8-15/h2-12,28H,13H2,1H3,(H,24,25,26).
What are the key properties of 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one?
1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one has a molecular weight of 446.49 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-(7-methyl-1,1-dioxo-4H-pyrido[2,3-e][1,2,4]thiadiazin-3-yl)quinolin-2-one is sourced from PubChem (CID 135507263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).