N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide

C22H23N3O4S — CID 22668226

IUPACN-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide
SMILESCOCCN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)S(C)(=O)=O
InChIInChI=1S/C22H23N3O4S/c1-29-10-9-25(30(2,27)28)14-15-7-8-20-17(11-15)13-21(23-20)18-12-16-5-3-4-6-19(16)24-22(18)26/h3-8,11-13,23H,9-10,14H2,1-2H3,(H,24,26)
InChIKeyZQEFVKZNGYWODO-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.08
Rot. Bonds7

About N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide

N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide (PubChem CID 22668226) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide
PubChem CID22668226
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide
SMILESCOCCN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)S(C)(=O)=O
InChIInChI=1S/C22H23N3O4S/c1-29-10-9-25(30(2,27)28)14-15-7-8-20-17(11-15)13-21(23-20)18-12-16-5-3-4-6-19(16)24-22(18)26/h3-8,11-13,23H,9-10,14H2,1-2H3,(H,24,26)
InChIKeyZQEFVKZNGYWODO-UHFFFAOYSA-N
XLogP3.08
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

methanesulfonic acid;3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 10299900
3-[5-(hydroxymethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 174398264
3-[5-[2-[2-methoxyethyl-[(2-methylpyrimidin-5-yl)methyl]amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668294
3-[5-[2-[2-methoxyethyl(pyrimidin-5-ylmethyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668323
3-[5-(methylaminomethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 142218394
3-[5-[[methyl(piperidin-4-yl)amino]methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 20696650
N-[[1-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]piperidin-4-yl]methyl]methanesulfonamide
CID 10226748
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-(5-amino-1H-indol-2-yl)-1H-quinolin-2-one
CID 22668309
2-carboxyethyl-(2-methoxyethyl)-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]azanium;2,2,2-trifluoroacetate
CID 87774741
2-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]oxy]acetonitrile
CID 22668287
3-[5-[[4-(2-hydroxyacetyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-1H-quinolin-2-one;methanesulfonic acid
CID 10164597

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide?
The IUPAC name of N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide (CID 22668226) is N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide is COCCN(Cc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1)S(C)(=O)=O.
What is the InChIKey of N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide?
The InChIKey is ZQEFVKZNGYWODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-29-10-9-25(30(2,27)28)14-15-7-8-20-17(11-15)13-21(23-20)18-12-16-5-3-4-6-19(16)24-22(18)26/h3-8,11-13,23H,9-10,14H2,1-2H3,(H,24,26).
What are the key properties of N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide?
N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[[2-(2-oxo-1H-quinolin-3-yl)-1H-indol-5-yl]methyl]methanesulfonamide is sourced from PubChem (CID 22668226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).