2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide

C13H19N3O4S — CID 142796916

IUPAC2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
SMILESCN1CCCc2c(OCC(N)=O)ccc(NS(C)(=O)=O)c21
InChIInChI=1S/C13H19N3O4S/c1-16-7-3-4-9-11(20-8-12(14)17)6-5-10(13(9)16)15-21(2,18)19/h5-6,15H,3-4,7-8H2,1-2H3,(H2,14,17)
InChIKeyVJMAAKCVHKNBFX-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.30
Rot. Bonds5

About 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide

2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide (PubChem CID 142796916) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
PubChem CID142796916
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
SMILESCN1CCCc2c(OCC(N)=O)ccc(NS(C)(=O)=O)c21
InChIInChI=1S/C13H19N3O4S/c1-16-7-3-4-9-11(20-8-12(14)17)6-5-10(13(9)16)15-21(2,18)19/h5-6,15H,3-4,7-8H2,1-2H3,(H2,14,17)
InChIKeyVJMAAKCVHKNBFX-UHFFFAOYSA-N
XLogP0.30
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The IUPAC name of 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide (CID 142796916) is 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide.
What is the SMILES notation for 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The canonical SMILES for 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide is CN1CCCc2c(OCC(N)=O)ccc(NS(C)(=O)=O)c21.
What is the InChIKey of 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
The InChIKey is VJMAAKCVHKNBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-16-7-3-4-9-11(20-8-12(14)17)6-5-10(13(9)16)15-21(2,18)19/h5-6,15H,3-4,7-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide?
2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide has a molecular weight of 313.38 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(methanesulfonamido)-1-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide is sourced from PubChem (CID 142796916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).