2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C24H33N3O3 — CID 51586358

IUPAC2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2nc(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)c2c1
InChIInChI=1S/C24H33N3O3/c1-17-6-7-22-21(13-17)23(14-18(2)25-22)30-16-24(28)27(15-20-5-4-12-29-20)19-8-10-26(3)11-9-19/h6-7,13-14,19-20H,4-5,8-12,15-16H2,1-3H3/t20-/m1/s1
InChIKeySRJDQXKVHSKGNV-HXUWFJFHSA-N
MW411.55 g/mol
LogP3.33
Rot. Bonds6

About 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 51586358) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID51586358
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc2nc(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)c2c1
InChIInChI=1S/C24H33N3O3/c1-17-6-7-22-21(13-17)23(14-18(2)25-22)30-16-24(28)27(15-20-5-4-12-29-20)19-8-10-26(3)11-9-19/h6-7,13-14,19-20H,4-5,8-12,15-16H2,1-3H3/t20-/m1/s1
InChIKeySRJDQXKVHSKGNV-HXUWFJFHSA-N
XLogP3.33
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 92607961
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylphenoxy)acetamide
CID 41312184
2-(5-methyl-2-propan-2-ylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135953968
2-(4-benzoylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 26918260
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 41170706
N-cyclopentyl-2-(5-methyl-1H-pyrazol-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 97069159
4-methyl-2-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65158770
2-(3-acetylphenoxy)-N-(oxolan-2-ylmethyl)-N-(thiolan-3-yl)acetamide
CID 55613748
7-tert-butyl-N-(1-methylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 51584022
7-tert-butyl-N-(1-methylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46968805
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
CID 43818819
oxolan-2-ylmethyl 7-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 16600369

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 51586358) is 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1ccc2nc(C)cc(OCC(=O)N(C[C@H]3CCCO3)C3CCN(C)CC3)c2c1.
What is the InChIKey of 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is SRJDQXKVHSKGNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17-6-7-22-21(13-17)23(14-18(2)25-22)30-16-24(28)27(15-20-5-4-12-29-20)19-8-10-26(3)11-9-19/h6-7,13-14,19-20H,4-5,8-12,15-16H2,1-3H3/t20-/m1/s1.
What are the key properties of 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 51586358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).