N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

C21H22N2O3 — CID 2405852

IUPACN-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C21H22N2O3/c1-13-7-14(2)9-16(8-13)23-21(24)12-26-20-10-15(3)22-19-6-5-17(25-4)11-18(19)20/h5-11H,12H2,1-4H3,(H,23,24)
InChIKeyPMKVVDYFRVLSFD-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.19
Rot. Bonds5

About N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide

N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (PubChem CID 2405852) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
PubChem CID2405852
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
SMILESCOc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1
InChIInChI=1S/C21H22N2O3/c1-13-7-14(2)9-16(8-13)23-21(24)12-26-20-10-15(3)22-19-6-5-17(25-4)11-18(19)20/h5-11H,12H2,1-4H3,(H,23,24)
InChIKeyPMKVVDYFRVLSFD-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.19
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
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
N-benzyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 70682976
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218
4-[6-(2-Fluoroethoxy)-2-quinolinyl]benzenamine
CID 76023983
N-Benzyl-2-(6-bromo-2-methyl-quinolin-4-yloxy)-acetamide
CID 70691354
2-(3,4-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915925

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide (CID 2405852) is N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is COc1ccc2nc(C)cc(OCC(=O)Nc3cc(C)cc(C)c3)c2c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
The InChIKey is PMKVVDYFRVLSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-7-14(2)9-16(8-13)23-21(24)12-26-20-10-15(3)22-19-6-5-17(25-4)11-18(19)20/h5-11H,12H2,1-4H3,(H,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide?
N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide has a molecular weight of 350.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide is sourced from PubChem (CID 2405852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).