N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

C20H22N2O4S — CID 1161687

IUPACN-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-4-7-18(8-5-14)27(25,26)22(9-10-23)13-17-12-16-6-3-15(2)11-19(16)21-20(17)24/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyQTNRIWGZXRATSJ-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.33
Rot. Bonds6

About N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide

N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (PubChem CID 1161687) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
PubChem CID1161687
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-14-4-7-18(8-5-14)27(25,26)22(9-10-23)13-17-12-16-6-3-15(2)11-19(16)21-20(17)24/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,21,24)
InChIKeyQTNRIWGZXRATSJ-UHFFFAOYSA-N
XLogP2.33
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-hydroxyethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 1161692
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
ethyl 4-[3-hydroxypropyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]sulfamoyl]benzoate
CID 3183836
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
4-acetyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 1161747
N-(3-hydroxypropyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-2-nitrobenzenesulfonamide
CID 3183837
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 3184054
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 1161906
4-tert-butyl-N-(2-hydroxyethyl)-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzenesulfonamide
CID 1432334

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide (CID 1161687) is N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)Cc2cc3ccc(C)cc3[nH]c2=O)cc1.
What is the InChIKey of N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
The InChIKey is QTNRIWGZXRATSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14-4-7-18(8-5-14)27(25,26)22(9-10-23)13-17-12-16-6-3-15(2)11-19(16)21-20(17)24/h3-8,11-12,23H,9-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide?
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 1161687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).