N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide

C19H20N2O4S — CID 110326072

IUPACN-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(C)cc3)cc2c1
InChIInChI=1S/C19H20N2O4S/c1-13-3-6-17(7-4-13)26(23,24)20-10-9-14-11-15-12-16(25-2)5-8-18(15)21-19(14)22/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyXXNALLKMLKZITE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.37
Rot. Bonds6

About N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide

N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 110326072) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID110326072
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(C)cc3)cc2c1
InChIInChI=1S/C19H20N2O4S/c1-13-3-6-17(7-4-13)26(23,24)20-10-9-14-11-15-12-16(25-2)5-8-18(15)21-19(14)22/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,22)
InChIKeyXXNALLKMLKZITE-UHFFFAOYSA-N
XLogP2.37
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325662
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]propane-1-sulfonamide
CID 110326068
5-ethyl-N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]thiophene-2-sulfonamide
CID 110326084
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922
4-bromo-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 4068078
1-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)sulfonylurea
CID 110325909
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936
3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide (CID 110326072) is N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide is COc1ccc2[nH]c(=O)c(CCNS(=O)(=O)c3ccc(C)cc3)cc2c1.
What is the InChIKey of N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is XXNALLKMLKZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-13-3-6-17(7-4-13)26(23,24)20-10-9-14-11-15-12-16(25-2)5-8-18(15)21-19(14)22/h3-8,11-12,20H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide?
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 110326072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).