N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine

C23H27N3O2S — CID 50759655

IUPACN-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
SMILESCc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1
InChIInChI=1S/C23H27N3O2S/c1-17-3-5-19(6-4-17)16-24-23-10-7-20-15-21(8-9-22(20)25-23)29(27,28)26-13-11-18(2)12-14-26/h3-10,15,18H,11-14,16H2,1-2H3,(H,24,25)
InChIKeyHRIRKULEEDRQIM-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.58
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine

N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine (PubChem CID 50759655) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
PubChem CID50759655
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
SMILESCc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1
InChIInChI=1S/C23H27N3O2S/c1-17-3-5-19(6-4-17)16-24-23-10-7-20-15-21(8-9-22(20)25-23)29(27,28)26-13-11-18(2)12-14-26/h3-10,15,18H,11-14,16H2,1-2H3,(H,24,25)
InChIKeyHRIRKULEEDRQIM-UHFFFAOYSA-N
XLogP4.58
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759685
2-chloro-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591343
2-methoxy-N-[(4-methylphenyl)methyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591213
N-[(2-chlorophenyl)methyl]-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 50806744
N-[(2-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759706
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
CID 62143884
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-6-(4-methylpiperidin-1-yl)sulfonylquinoline
CID 92745933
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767783

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine (CID 50759655) is N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine is Cc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
The InChIKey is HRIRKULEEDRQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-17-3-5-19(6-4-17)16-24-23-10-7-20-15-21(8-9-22(20)25-23)29(27,28)26-13-11-18(2)12-14-26/h3-10,15,18H,11-14,16H2,1-2H3,(H,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine has a molecular weight of 409.56 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine is sourced from PubChem (CID 50759655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).