N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide

C26H31N3O3S — CID 69354041

IUPACN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(OCCN3CCC(=Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1
InChIInChI=1S/C26H31N3O3S/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-14-12-21(13-15-29)18-22-6-4-7-23(19-22)28(2)33(3,30)31/h4-11,18-19H,12-17H2,1-3H3
InChIKeyGEMRNXGRKAYHKP-UHFFFAOYSA-N
MW465.62 g/mol
LogP4.50
Rot. Bonds7

About N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide

N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide (PubChem CID 69354041) has the molecular formula C26H31N3O3S and a molecular weight of 465.62 g/mol. Its IUPAC name is N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
PubChem CID69354041
Molecular FormulaC26H31N3O3S
Molecular Weight465.62 g/mol
Exact Mass465.21
IUPAC NameN-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
SMILESCc1ccc2c(OCCN3CCC(=Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1
InChIInChI=1S/C26H31N3O3S/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-14-12-21(13-15-29)18-22-6-4-7-23(19-22)28(2)33(3,30)31/h4-11,18-19H,12-17H2,1-3H3
InChIKeyGEMRNXGRKAYHKP-UHFFFAOYSA-N
XLogP4.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.62
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

2-methyl-5-[2-[4-[(3-pyridin-3-ylphenyl)methylidene]piperidin-1-yl]ethoxy]quinoline
CID 10238233
N-[2-methyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide
CID 69355410
5-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]-2-(trifluoromethyl)aniline
CID 69353177
5-[2-[4-[[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methylidene]piperidin-1-yl]ethoxy]-2-methylquinoline
CID 69352679
2-methyl-5-[2-[4-[[3-(3-methylpiperazin-1-yl)phenyl]methylidene]piperidin-1-yl]ethoxy]quinoline
CID 69352805
5-[2-[4-[(3-bromophenyl)methylidene]piperidin-1-yl]ethoxy]quinoline-2-carbonitrile
CID 69353474
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-2-ylidene]methyl]phenyl]methanesulfonamide
CID 90692885
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]methanesulfonamide
CID 24865725
N-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenyl]butanamide
CID 90877133
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
CID 11235335
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10127673

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide (CID 69354041) is N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide is Cc1ccc2c(OCCN3CCC(=Cc4cccc(N(C)S(C)(=O)=O)c4)CC3)cccc2n1.
What is the InChIKey of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
The InChIKey is GEMRNXGRKAYHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3S/c1-20-10-11-24-25(27-20)8-5-9-26(24)32-17-16-29-14-12-21(13-15-29)18-22-6-4-7-23(19-22)28(2)33(3,30)31/h4-11,18-19H,12-17H2,1-3H3.
What are the key properties of N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide?
N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide has a molecular weight of 465.62 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-ylidene]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69354041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).