N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine

C22H24ClN3O2S — CID 50759685

IUPACN-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
SMILESCc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1Cl
InChIInChI=1S/C22H24ClN3O2S/c1-15-9-11-26(12-10-15)29(27,28)19-6-7-21-17(13-19)4-8-22(25-21)24-18-5-3-16(2)20(23)14-18/h3-8,13-15H,9-12H2,1-2H3,(H,24,25)
InChIKeyYRLGOYXEZSYUJZ-UHFFFAOYSA-N
MW429.97 g/mol
LogP5.36
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine

N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine (PubChem CID 50759685) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
PubChem CID50759685
Molecular FormulaC22H24ClN3O2S
Molecular Weight429.97 g/mol
Exact Mass429.13
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
SMILESCc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1Cl
InChIInChI=1S/C22H24ClN3O2S/c1-15-9-11-26(12-10-15)29(27,28)19-6-7-21-17(13-19)4-8-22(25-21)24-18-5-3-16(2)20(23)14-18/h3-8,13-15H,9-12H2,1-2H3,(H,24,25)
InChIKeyYRLGOYXEZSYUJZ-UHFFFAOYSA-N
XLogP5.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.97
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methylphenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine
CID 50759655
N-(3,4-dimethoxyphenyl)-6-piperidin-1-ylsulfonylquinolin-2-amine
CID 50759679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine
CID 46283426
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-methyl-1-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]sulfonylpiperidine
CID 1087770
4-(benzenesulfonyl)-1-(3-chloro-4-methylphenyl)sulfonylpiperidine
CID 90589474
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28590479
N-methyl-6-thiomorpholin-4-ylsulfonylquinolin-2-amine
CID 62143884
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
N-(3-methoxyphenyl)-6-[(2R)-2-methylpiperidin-1-yl]sulfonylquinolin-2-amine
CID 92887004

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine (CID 50759685) is N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine is Cc1ccc(Nc2ccc3cc(S(=O)(=O)N4CCC(C)CC4)ccc3n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
The InChIKey is YRLGOYXEZSYUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-15-9-11-26(12-10-15)29(27,28)19-6-7-21-17(13-19)4-8-22(25-21)24-18-5-3-16(2)20(23)14-18/h3-8,13-15H,9-12H2,1-2H3,(H,24,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine?
N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine has a molecular weight of 429.97 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylquinolin-2-amine is sourced from PubChem (CID 50759685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).