N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide

C17H20N4O2S — CID 170504249

IUPACN-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide
SMILESCc1nn(C)c(C)c1-c1cc(C)c2cc(NS(C)(=O)=O)ccc2n1
InChIInChI=1S/C17H20N4O2S/c1-10-8-16(17-11(2)19-21(4)12(17)3)18-15-7-6-13(9-14(10)15)20-24(5,22)23/h6-9,20H,1-5H3
InChIKeySGEJYOSPACILFE-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.93
Rot. Bonds3

About N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide

N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide (PubChem CID 170504249) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide
PubChem CID170504249
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide
SMILESCc1nn(C)c(C)c1-c1cc(C)c2cc(NS(C)(=O)=O)ccc2n1
InChIInChI=1S/C17H20N4O2S/c1-10-8-16(17-11(2)19-21(4)12(17)3)18-15-7-6-13(9-14(10)15)20-24(5,22)23/h6-9,20H,1-5H3
InChIKeySGEJYOSPACILFE-UHFFFAOYSA-N
XLogP2.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethoxyphenyl)-4-methylquinolin-6-yl]methanesulfonamide
CID 169411496
N-[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methanesulfonamide
CID 170504939
N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512882
N-[4-[[2-amino-6-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117079551
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512652
2-[2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylquinolin-6-yl]-N-methylacetamide
CID 169420696
N-cycloheptyl-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512639
2-(1,3,5-trimethylpyrazol-4-yl)quinoline
CID 123470704
N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 146022108
N-(4-methyl-3-sulfamoylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78886380
2-(1,3,5-trimethylpyrazol-4-yl)pyridine
CID 91021592
N-(5-bromo-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512629

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide?
The IUPAC name of N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide (CID 170504249) is N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide is Cc1nn(C)c(C)c1-c1cc(C)c2cc(NS(C)(=O)=O)ccc2n1.
What is the InChIKey of N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide?
The InChIKey is SGEJYOSPACILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-10-8-16(17-11(2)19-21(4)12(17)3)18-15-7-6-13(9-14(10)15)20-24(5,22)23/h6-9,20H,1-5H3.
What are the key properties of N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide?
N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(1,3,5-trimethylpyrazol-4-yl)quinolin-6-yl]methanesulfonamide is sourced from PubChem (CID 170504249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).