N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

C19H27N3O4S — CID 131937951

IUPACN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCOCCN1CCC(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)C1
InChIInChI=1S/C19H27N3O4S/c1-14-10-19(23)20-18-5-4-16(11-17(14)18)27(24,25)21(2)12-15-6-7-22(13-15)8-9-26-3/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,20,23)
InChIKeyNRFKWGZJIBKJJL-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.43
Rot. Bonds7

About N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide

N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 131937951) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID131937951
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC NameN-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCOCCN1CCC(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)C1
InChIInChI=1S/C19H27N3O4S/c1-14-10-19(23)20-18-5-4-16(11-17(14)18)27(24,25)21(2)12-15-6-7-22(13-15)8-9-26-3/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,20,23)
InChIKeyNRFKWGZJIBKJJL-UHFFFAOYSA-N
XLogP1.43
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide with MolForge

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Related Compounds

5-(Morpholin-4-ylsulfonyl)indoline
CID 6486016
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-benzyl-4-methyl-2-oxo-1H-quinoline-6-sulfonamide
CID 16800466
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
4-methyl-2-oxo-N-phenyl-1,2-dihydroquinoline-6-sulfonamide
CID 16804856
N-cyclohexyl-4-methyl-2-oxo-1,2-dihydro-6-quinolinesulfonamide
CID 16824690
4-methyl-6-(morpholin-4-ylsulfonyl)quinolin-2(1H)-one
CID 16832102
4,8-dimethyl-6-(4-morpholinylsulfonyl)-2(1H)-quinolinone
CID 16832103
1-Acetyl-5-(morpholin-4-ylsulfonyl)indoline
CID 866906
1-acetyl-N-(2-cyclohex-1-en-1-ylethyl)indoline-5-sulfonamide
CID 3245229
N-[4-(2,3-dihydro-1H-indol-1-ylsulfonyl)phenyl]propanamide
CID 788728
1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 3243161

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide (CID 131937951) is N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is COCCN1CCC(CN(C)S(=O)(=O)c2ccc3[nH]c(=O)cc(C)c3c2)C1.
What is the InChIKey of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is NRFKWGZJIBKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-10-19(23)20-18-5-4-16(11-17(14)18)27(24,25)21(2)12-15-6-7-22(13-15)8-9-26-3/h4-5,10-11,15H,6-9,12-13H2,1-3H3,(H,20,23).
What are the key properties of N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide?
N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 393.51 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N,4-dimethyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 131937951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).