N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide

C20H22N2O3S — CID 4972680

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CN(C(C)C)S(=O)(=O)c3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O3S/c1-14(2)22(26(24,25)18-7-5-4-6-8-18)13-17-12-16-11-15(3)9-10-19(16)21-20(17)23/h4-12,14H,13H2,1-3H3,(H,21,23)
InChIKeyZVBBWNMREHNXAR-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.44
Rot. Bonds5

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 4972680) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID4972680
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc2[nH]c(=O)c(CN(C(C)C)S(=O)(=O)c3ccccc3)cc2c1
InChIInChI=1S/C20H22N2O3S/c1-14(2)22(26(24,25)18-7-5-4-6-8-18)13-17-12-16-11-15(3)9-10-19(16)21-20(17)23/h4-12,14H,13H2,1-3H3,(H,21,23)
InChIKeyZVBBWNMREHNXAR-UHFFFAOYSA-N
XLogP3.44
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
4-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-phenylethyl)benzenesulfonamide
CID 1168721
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
N-benzyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 858516
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1168647
N-(3,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 23605192
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
CID 666351
N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1168875
N-ethyl-2-methyl-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 941055
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-phenylmethanesulfonamide
CID 110325936

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide (CID 4972680) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide is Cc1ccc2[nH]c(=O)c(CN(C(C)C)S(=O)(=O)c3ccccc3)cc2c1.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZVBBWNMREHNXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-14(2)22(26(24,25)18-7-5-4-6-8-18)13-17-12-16-11-15(3)9-10-19(16)21-20(17)23/h4-12,14H,13H2,1-3H3,(H,21,23).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 4972680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).