N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide

C19H20N2O3S — CID 167290973

IUPACN-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
SMILESCc1cc(Cc2cc3ccccc3[nH]c2=O)ccc1CNS(C)(=O)=O
InChIInChI=1S/C19H20N2O3S/c1-13-9-14(7-8-16(13)12-20-25(2,23)24)10-17-11-15-5-3-4-6-18(15)21-19(17)22/h3-9,11,20H,10,12H2,1-2H3,(H,21,22)
InChIKeyIHSYCRVMJYTRAQ-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.48
Rot. Bonds5

About N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide

N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide (PubChem CID 167290973) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
PubChem CID167290973
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC NameN-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
SMILESCc1cc(Cc2cc3ccccc3[nH]c2=O)ccc1CNS(C)(=O)=O
InChIInChI=1S/C19H20N2O3S/c1-13-9-14(7-8-16(13)12-20-25(2,23)24)10-17-11-15-5-3-4-6-18(15)21-19(17)22/h3-9,11,20H,10,12H2,1-2H3,(H,21,22)
InChIKeyIHSYCRVMJYTRAQ-UHFFFAOYSA-N
XLogP2.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide with MolForge

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Related Compounds

3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
CID 166457863
3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110324343
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
CID 166457897
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
N-[2-(1H-indol-2-yl)ethyl]methanesulfonamide
CID 20598528
N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110325510
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
N-[4-[(2-oxo-1H-quinolin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 110324340

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide (CID 167290973) is N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide is Cc1cc(Cc2cc3ccccc3[nH]c2=O)ccc1CNS(C)(=O)=O.
What is the InChIKey of N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide?
The InChIKey is IHSYCRVMJYTRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-13-9-14(7-8-16(13)12-20-25(2,23)24)10-17-11-15-5-3-4-6-18(15)21-19(17)22/h3-9,11,20H,10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide?
N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 167290973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).