N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide

C18H18N2O5S — CID 22548596

IUPACN-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OC)c1
InChIInChI=1S/C18H18N2O5S/c1-20(16-8-5-13(24-2)11-17(16)25-3)26(22,23)14-6-7-15-12(10-14)4-9-18(21)19-15/h4-11H,1-3H3,(H,19,21)
InChIKeyKEEQDRNMTFDVLJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.37
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide

N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide (PubChem CID 22548596) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide
PubChem CID22548596
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OC)c1
InChIInChI=1S/C18H18N2O5S/c1-20(16-8-5-13(24-2)11-17(16)25-3)26(22,23)14-6-7-15-12(10-14)4-9-18(21)19-15/h4-11H,1-3H3,(H,19,21)
InChIKeyKEEQDRNMTFDVLJ-UHFFFAOYSA-N
XLogP2.37
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,4-dimethoxyphenyl)-N-methylbenzenesulfonamide
CID 99635932
N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyrimidin-2-yl-1H-quinoline-6-sulfonamide
CID 175839914
N-(2,5-dimethoxyphenyl)-3-fluoro-4-methoxy-N-methylbenzenesulfonamide
CID 100543133
2-[methyl-[(2-oxo-1H-quinolin-6-yl)sulfonyl]amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 20903544
6-[(4-methoxyphenyl)methyl]-1H-quinolin-2-one
CID 70082190
N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
4-[benzenesulfonyl(methyl)amino]-3-methoxybenzenesulfonamide
CID 34207194
6-chloro-7-methoxy-1H-quinolin-2-one;hydrochloride
CID 172686181
N-[[4-(dimethylamino)phenyl]methyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548598
methyl 4,5-dimethoxy-2-[methyl(naphthalen-2-ylsulfonyl)amino]benzoate
CID 100535703
6-(4-methoxyphenyl)-7-methyl-1H-quinolin-2-one
CID 169119719

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide (CID 22548596) is N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide?
The InChIKey is KEEQDRNMTFDVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c1-20(16-8-5-13(24-2)11-17(16)25-3)26(22,23)14-6-7-15-12(10-14)4-9-18(21)19-15/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide?
N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide has a molecular weight of 374.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-methyl-2-oxo-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22548596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).