N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

C20H20N2O3 — CID 70682976

IUPACN-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C20H20N2O3/c1-14-10-19(17-11-16(24-2)8-9-18(17)22-14)25-13-20(23)21-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyTVFKOQNEHZEDOF-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.25
Rot. Bonds6

About N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (PubChem CID 70682976) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
PubChem CID70682976
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)NCc3ccccc3)c2c1
InChIInChI=1S/C20H20N2O3/c1-14-10-19(17-11-16(24-2)8-9-18(17)22-14)25-13-20(23)21-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,23)
InChIKeyTVFKOQNEHZEDOF-UHFFFAOYSA-N
XLogP3.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-2-methyl-4-quinolyl)oxy]-N-(2-methoxyphenyl)acetamide
CID 70685044
(R)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)-2-(quinolin-8-yloxy)acetamide
CID 90241758
2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-1-(4-phenyl-piperazin-1-yl)-ethanone
CID 9999722
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10173263
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]propanamide
CID 10194809
N-(3-{4-[2-(2-Methylquinolin-5-yloxy)ethyl]piperazin-1-ylmethyl}phenyl)-acetamide
CID 10237964
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
N-[(2-methylquinolin-4-yl)methyl]-2-(4-nitrophenoxy)acetamide
CID 1503106
1-Fluoro-3-(2-(4-(methylamino)phenyl)quinolin-6-yloxy)propan-2-ol
CID 69620381
4-[6-(2-Fluoroethoxy)-2-quinolinyl]benzenamine
CID 76023983
N-Benzyl-2-(6-bromo-2-methyl-quinolin-4-yloxy)-acetamide
CID 70691354
2-(Quinolin-8-yloxy)acetamide
CID 753651

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (CID 70682976) is N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is COc1ccc2nc(C)cc(OCC(=O)NCc3ccccc3)c2c1.
What is the InChIKey of N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is TVFKOQNEHZEDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14-10-19(17-11-16(24-2)8-9-18(17)22-14)25-13-20(23)21-12-15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 336.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 70682976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).