N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide

C23H25N5O4S — CID 90372487

IUPACN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)N4)c2c1
InChIInChI=1S/C23H25N5O4S/c1-13-8-9-17-15(10-13)16(11-14(2)25-17)22(29)26-23(3,4)12-32-19-7-5-6-18-20(19)21(24)28-33(30,31)27-18/h5-11,27H,12H2,1-4H3,(H2,24,28)(H,26,29)
InChIKeyFPSDYCLVGXPANO-UHFFFAOYSA-N
MW467.55 g/mol
LogP2.81
Rot. Bonds5

About N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide

N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide (PubChem CID 90372487) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide
PubChem CID90372487
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide
SMILESCc1ccc2nc(C)cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)N4)c2c1
InChIInChI=1S/C23H25N5O4S/c1-13-8-9-17-15(10-13)16(11-14(2)25-17)22(29)26-23(3,4)12-32-19-7-5-6-18-20(19)21(24)28-33(30,31)27-18/h5-11,27H,12H2,1-4H3,(H2,24,28)(H,26,29)
InChIKeyFPSDYCLVGXPANO-UHFFFAOYSA-N
XLogP2.81
TPSA135.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide (CID 90372487) is N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide is Cc1ccc2nc(C)cc(C(=O)NC(C)(C)COc3cccc4c3C(N)=NS(=O)(=O)N4)c2c1.
What is the InChIKey of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
The InChIKey is FPSDYCLVGXPANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-13-8-9-17-15(10-13)16(11-14(2)25-17)22(29)26-23(3,4)12-32-19-7-5-6-18-20(19)21(24)28-33(30,31)27-18/h5-11,27H,12H2,1-4H3,(H2,24,28)(H,26,29).
What are the key properties of N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide?
N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide has a molecular weight of 467.55 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-amino-2,2-dioxo-1H-2λ6,1,3-benzothiadiazin-5-yl)oxy]-2-methylpropan-2-yl]-2,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 90372487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).