N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide

C15H16N4O3S — CID 169421069

IUPACN-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
SMILESCOc1cc2c(C)cc(-c3ncc[nH]3)nc2cc1NS(C)(=O)=O
InChIInChI=1S/C15H16N4O3S/c1-9-6-13(15-16-4-5-17-15)18-11-8-12(19-23(3,20)21)14(22-2)7-10(9)11/h4-8,19H,1-3H3,(H,16,17)
InChIKeyLYGNLNBZDMVPMD-UHFFFAOYSA-N
MW332.39 g/mol
LogP2.31
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide

N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide (PubChem CID 169421069) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
PubChem CID169421069
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
SMILESCOc1cc2c(C)cc(-c3ncc[nH]3)nc2cc1NS(C)(=O)=O
InChIInChI=1S/C15H16N4O3S/c1-9-6-13(15-16-4-5-17-15)18-11-8-12(19-23(3,20)21)14(22-2)7-10(9)11/h4-8,19H,1-3H3,(H,16,17)
InChIKeyLYGNLNBZDMVPMD-UHFFFAOYSA-N
XLogP2.31
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 170505012
N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
CID 170513028
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-[6-methoxy-2-(3-methylimidazol-4-yl)-4-pyridin-4-ylquinolin-7-yl]methanesulfonamide
CID 171911939
N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 169417675
N-[2-(2,3-dimethylimidazol-4-yl)-6-methoxy-4-methylquinolin-7-yl]acetamide
CID 169418075
N-(4-amino-2,5-dimethoxyphenyl)methanesulfonamide
CID 57266401
2-(4-fluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 102444237
N-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl)methanesulfonamide
CID 59831493
formic acid;N-[6-methoxy-4-methyl-2-(2-methylpyrazol-3-yl)quinolin-7-yl]acetamide
CID 171339492
N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide
CID 169421838

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide (CID 169421069) is N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide is COc1cc2c(C)cc(-c3ncc[nH]3)nc2cc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
The InChIKey is LYGNLNBZDMVPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9-6-13(15-16-4-5-17-15)18-11-8-12(19-23(3,20)21)14(22-2)7-10(9)11/h4-8,19H,1-3H3,(H,16,17).
What are the key properties of N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide?
N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide has a molecular weight of 332.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide is sourced from PubChem (CID 169421069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).