N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C17H18N2O4S — CID 3239722

IUPACN-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H18N2O4S/c1-19(13-4-6-14(23-2)7-5-13)24(21,22)15-8-9-16-12(11-15)3-10-17(20)18-16/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyGUIRKQFWPGOAKG-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.40
Rot. Bonds4

About N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 3239722) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID3239722
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
InChIInChI=1S/C17H18N2O4S/c1-19(13-4-6-14(23-2)7-5-13)24(21,22)15-8-9-16-12(11-15)3-10-17(20)18-16/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyGUIRKQFWPGOAKG-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]amino]acetamide
CID 20862474
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 8797974
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763
N-(4-ethoxyphenyl)-N-methyl-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 46341343
6-[bromo-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098117
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 24604890
6-[hydroxy-(4-methoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 19854729
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-methylbenzenesulfonate
CID 18148740
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[(3,4-dimethylphenyl)sulfonyl-methylamino]acetate
CID 71898874
N-methoxy-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 60664960
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
N-(4-methoxyphenyl)-N-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepine-8-sulfonamide
CID 50812416

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 3239722) is N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is GUIRKQFWPGOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-19(13-4-6-14(23-2)7-5-13)24(21,22)15-8-9-16-12(11-15)3-10-17(20)18-16/h4-9,11H,3,10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 3239722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).