N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide

C24H26N4O6S2 — CID 135927843

IUPACN-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide
SMILESCC(C)CCc1c(O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c(=O)n2ccccc12
InChIInChI=1S/C24H26N4O6S2/c1-14(2)6-10-17-19-5-3-4-12-28(19)24(30)21(22(17)29)23-25-18-11-7-15(13-20(18)36(33,34)27-23)26-35(31,32)16-8-9-16/h3-5,7,11-14,16,26,29H,6,8-10H2,1-2H3,(H,25,27)
InChIKeyHZERQHOPCGBYKM-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.06
Rot. Bonds7

About N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide

N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide (PubChem CID 135927843) has the molecular formula C24H26N4O6S2 and a molecular weight of 530.63 g/mol. Its IUPAC name is N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide
PubChem CID135927843
Molecular FormulaC24H26N4O6S2
Molecular Weight530.63 g/mol
Exact Mass530.13
IUPAC NameN-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide
SMILESCC(C)CCc1c(O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c(=O)n2ccccc12
InChIInChI=1S/C24H26N4O6S2/c1-14(2)6-10-17-19-5-3-4-12-28(19)24(30)21(22(17)29)23-25-18-11-7-15(13-20(18)36(33,34)27-23)26-35(31,32)16-8-9-16/h3-5,7,11-14,16,26,29H,6,8-10H2,1-2H3,(H,25,27)
InChIKeyHZERQHOPCGBYKM-UHFFFAOYSA-N
XLogP3.06
TPSA146.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide with MolForge

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Related Compounds

N-[3-[2-hydroxy-6-methyl-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135927858
N-[3-[6-tert-butyl-5-hydroxy-2-(3-methylbutyl)-3-oxopyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide
CID 135907846
N-[3-[1-[(3,4-difluorophenyl)methyl]-2-hydroxy-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135927845
2-amino-5-(methanesulfonamido)benzenesulfonamide;N-[3-[1-(2-cyclopropylethyl)-2-hydroxy-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide;ethyl 1-(2-cyclopropylethyl)-2-hydroxy-4-oxoquinolizine-3-carboxylate
CID 157077629
CID 145490778
CID 145490778
N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]piperazine-1-sulfonamide
CID 135410997
N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-thiophen-2-ylpyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]propane-2-sulfonamide
CID 135907975
3-chloro-N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]thiophene-2-sulfonamide
CID 174487457
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
N-[3-[5-hydroxy-2-(3-methylbutyl)-3-oxo-6-(1,3-thiazol-5-yl)pyridazin-4-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135907885
N-[3-(1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinolin-6-yl]cyclopentanecarboxamide
CID 135530708
N-[3-[(2S,7R)-6-hydroxy-3-(3-methylbutyl)-4-oxo-3-azatricyclo[6.2.2.02,7]dodec-5-en-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide
CID 135976520

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide?
The IUPAC name of N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide (CID 135927843) is N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide is CC(C)CCc1c(O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)C4CC4)ccc3N2)c(=O)n2ccccc12.
What is the InChIKey of N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide?
The InChIKey is HZERQHOPCGBYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6S2/c1-14(2)6-10-17-19-5-3-4-12-28(19)24(30)21(22(17)29)23-25-18-11-7-15(13-20(18)36(33,34)27-23)26-35(31,32)16-8-9-16/h3-5,7,11-14,16,26,29H,6,8-10H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide?
N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide has a molecular weight of 530.63 g/mol, XLogP of 3.06, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxy-1-(3-methylbutyl)-4-oxoquinolizin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]cyclopropanesulfonamide is sourced from PubChem (CID 135927843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).