2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide

C26H31N3O2 — CID 124582290

IUPAC2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide
SMILESCc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2c1
InChIInChI=1S/C26H31N3O2/c1-18-10-11-24-23(13-18)25(14-19(2)27-24)31-17-26(30)28-22-9-6-8-21(15-22)16-29-12-5-4-7-20(29)3/h6,8-11,13-15,20H,4-5,7,12,16-17H2,1-3H3,(H,28,30)/t20-/m0/s1
InChIKeyVDTOXDJPICRRFB-FQEVSTJZSA-N
MW417.55 g/mol
LogP5.24
Rot. Bonds6

About 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide

2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 124582290) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide
PubChem CID124582290
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide
SMILESCc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2c1
InChIInChI=1S/C26H31N3O2/c1-18-10-11-24-23(13-18)25(14-19(2)27-24)31-17-26(30)28-22-9-6-8-21(15-22)16-29-12-5-4-7-20(29)3/h6,8-11,13-15,20H,4-5,7,12,16-17H2,1-3H3,(H,28,30)/t20-/m0/s1
InChIKeyVDTOXDJPICRRFB-FQEVSTJZSA-N
XLogP5.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide with MolForge

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 46951966
1-[[3-[[2-(4-methylphenoxy)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55984992
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
N-(3,5-dimethylphenyl)-2-(2-methyl-6-phenylmethoxyquinolin-4-yl)oxyacetamide
CID 155925750
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
N-[3-[2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46475702
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
2-methyl-N-[3-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 92627356
N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 92627414
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
1-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]urea
CID 118779593
1-methyl-3-[3-[(2-methylpiperidin-1-yl)methyl]phenyl]-1-(2-pyridin-2-ylethyl)urea
CID 72848016

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide (CID 124582290) is 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide is Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2c1.
What is the InChIKey of 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is VDTOXDJPICRRFB-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-18-10-11-24-23(13-18)25(14-19(2)27-24)31-17-26(30)28-22-9-6-8-21(15-22)16-29-12-5-4-7-20(29)3/h6,8-11,13-15,20H,4-5,7,12,16-17H2,1-3H3,(H,28,30)/t20-/m0/s1.
What are the key properties of 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide?
2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 417.55 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylquinolin-4-yl)oxy-N-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 124582290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).