N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide

C17H18N4O3S — CID 169421838

IUPACN-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide
SMILESCOc1ncc(-c2cc(C)c3cc(NS(C)(=O)=O)cc(C)c3n2)cn1
InChIInChI=1S/C17H18N4O3S/c1-10-6-15(12-8-18-17(24-3)19-9-12)20-16-11(2)5-13(7-14(10)16)21-25(4,22)23/h5-9,21H,1-4H3
InChIKeySLMHDOMZXKQDFU-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.69
Rot. Bonds4

About N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide

N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide (PubChem CID 169421838) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide
PubChem CID169421838
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide
SMILESCOc1ncc(-c2cc(C)c3cc(NS(C)(=O)=O)cc(C)c3n2)cn1
InChIInChI=1S/C17H18N4O3S/c1-10-6-15(12-8-18-17(24-3)19-9-12)20-16-11(2)5-13(7-14(10)16)21-25(4,22)23/h5-9,21H,1-4H3
InChIKeySLMHDOMZXKQDFU-UHFFFAOYSA-N
XLogP2.69
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-methoxy-4-methyl-2-[2-(propylamino)pyrimidin-5-yl]quinolin-6-yl]methanesulfonamide
CID 170513028
N-(3,5-dimethyl-4-propoxyphenyl)methanesulfonamide
CID 175307812
N-(4,8-dimethylnaphthalen-2-yl)methanesulfonamide
CID 58960364
N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-(2,6-dimethyl-4-pyridinyl)methanesulfonamide
CID 130662680
N-[2-(1H-imidazol-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 169421069
N-(2-methoxypyrimidin-5-yl)-2,4-dimethylbenzenesulfonamide
CID 91968392
N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide
CID 170504249
N-[2-(2,3-dimethylimidazol-4-yl)-7-methoxy-4-methylquinolin-6-yl]methanesulfonamide;formic acid
CID 171338851
3-chloro-N-(2-methoxypyrimidin-5-yl)-4-methylbenzenesulfonamide
CID 122301724
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
N-[2-(furan-2-yl)-6-methoxy-4-methylquinolin-7-yl]methanesulfonamide
CID 170505012

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide (CID 169421838) is N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide is COc1ncc(-c2cc(C)c3cc(NS(C)(=O)=O)cc(C)c3n2)cn1.
What is the InChIKey of N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide?
The InChIKey is SLMHDOMZXKQDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-6-15(12-8-18-17(24-3)19-9-12)20-16-11(2)5-13(7-14(10)16)21-25(4,22)23/h5-9,21H,1-4H3.
What are the key properties of N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide?
N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide has a molecular weight of 358.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxypyrimidin-5-yl)-4,8-dimethylquinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 169421838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).