N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide

C19H20N2O4S — CID 110325519

IUPACN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-12-8-13(2)17-10-14(19(22)21-18(17)9-12)11-20-26(23,24)16-6-4-15(25-3)5-7-16/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyMMDYRNGOALYLOX-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.63
Rot. Bonds5

About N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide

N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide (PubChem CID 110325519) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
PubChem CID110325519
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C19H20N2O4S/c1-12-8-13(2)17-10-14(19(22)21-18(17)9-12)11-20-26(23,24)16-6-4-15(25-3)5-7-16/h4-10,20H,11H2,1-3H3,(H,21,22)
InChIKeyMMDYRNGOALYLOX-UHFFFAOYSA-N
XLogP2.63
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110325527
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 110325529
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethylbenzenesulfonamide
CID 110326425
4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324590
4-ethoxy-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324639
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110326427
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110325538
4-methoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylbenzenesulfonamide
CID 110324955
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 110325328
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-methylbenzenesulfonamide
CID 110326434

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide (CID 110325519) is N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCc2cc3c(C)cc(C)cc3[nH]c2=O)cc1.
What is the InChIKey of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide?
The InChIKey is MMDYRNGOALYLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-8-13(2)17-10-14(19(22)21-18(17)9-12)11-20-26(23,24)16-6-4-15(25-3)5-7-16/h4-10,20H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide?
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110325519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).