N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide

C19H20N2O4S — CID 169411496

IUPACN-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
SMILESCOc1cccc(OC)c1-c1cc(C)c2cc(NS(C)(=O)=O)ccc2n1
InChIInChI=1S/C19H20N2O4S/c1-12-10-16(19-17(24-2)6-5-7-18(19)25-3)20-15-9-8-13(11-14(12)15)21-26(4,22)23/h5-11,21H,1-4H3
InChIKeyLFRDMKFEKLUAJK-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.60
Rot. Bonds5

About N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide

N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide (PubChem CID 169411496) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
PubChem CID169411496
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
SMILESCOc1cccc(OC)c1-c1cc(C)c2cc(NS(C)(=O)=O)ccc2n1
InChIInChI=1S/C19H20N2O4S/c1-12-10-16(19-17(24-2)6-5-7-18(19)25-3)20-15-9-8-13(11-14(12)15)21-26(4,22)23/h5-11,21H,1-4H3
InChIKeyLFRDMKFEKLUAJK-UHFFFAOYSA-N
XLogP3.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide (CID 169411496) is N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide is COc1cccc(OC)c1-c1cc(C)c2cc(NS(C)(=O)=O)ccc2n1.
What is the InChIKey of N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide?
The InChIKey is LFRDMKFEKLUAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-12-10-16(19-17(24-2)6-5-7-18(19)25-3)20-15-9-8-13(11-14(12)15)21-26(4,22)23/h5-11,21H,1-4H3.
What are the key properties of N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide?
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 169411496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).