N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide

C16H22N2O3S — CID 2992520

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCc1ccc2cc(CN(CC(C)C)S(C)(=O)=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H22N2O3S/c1-11(2)9-18(22(4,20)21)10-14-8-13-6-5-12(3)7-15(13)17-16(14)19/h5-8,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyXRXCSOMFYBHHQG-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.25
Rot. Bonds5

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide (PubChem CID 2992520) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
PubChem CID2992520
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide
SMILESCc1ccc2cc(CN(CC(C)C)S(C)(=O)=O)c(=O)[nH]c2c1
InChIInChI=1S/C16H22N2O3S/c1-11(2)9-18(22(4,20)21)10-14-8-13-6-5-12(3)7-15(13)17-16(14)19/h5-8,11H,9-10H2,1-4H3,(H,17,19)
InChIKeyXRXCSOMFYBHHQG-UHFFFAOYSA-N
XLogP2.25
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 4903915
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 4903834
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylmethanesulfonamide
CID 666351
N-benzyl-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1149817
N-(2-hydroxyethyl)-4-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161687
N-[(4-fluorophenyl)methyl]-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1161628
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 930563
4-methoxy-N-(2-methoxyethyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 4903579
2-fluoro-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3-methylphenyl)ethyl]benzenesulfonamide
CID 1161752
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 4911896
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide (CID 2992520) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide is Cc1ccc2cc(CN(CC(C)C)S(C)(=O)=O)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide?
The InChIKey is XRXCSOMFYBHHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(2)9-18(22(4,20)21)10-14-8-13-6-5-12(3)7-15(13)17-16(14)19/h5-8,11H,9-10H2,1-4H3,(H,17,19).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide has a molecular weight of 322.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-methylpropyl)methanesulfonamide is sourced from PubChem (CID 2992520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).