2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone

C20H19NO3 — CID 162667689

IUPAC2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
SMILESCOc1ccc2nc(C)cc(OCC(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H19NO3/c1-13-4-6-15(7-5-13)19(22)12-24-20-10-14(2)21-18-9-8-16(23-3)11-17(18)20/h4-11H,12H2,1-3H3
InChIKeyRFRRGLCDKUBPHP-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.12
Rot. Bonds5

About 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone

2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone (PubChem CID 162667689) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
PubChem CID162667689
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone
SMILESCOc1ccc2nc(C)cc(OCC(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C20H19NO3/c1-13-4-6-15(7-5-13)19(22)12-24-20-10-14(2)21-18-9-8-16(23-3)11-17(18)20/h4-11H,12H2,1-3H3
InChIKeyRFRRGLCDKUBPHP-UHFFFAOYSA-N
XLogP4.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
1-(3-chlorophenyl)-2-(6-methoxy-2-methylquinolin-4-yl)oxyethanone
CID 162672729
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(2-methoxyphenyl)ethanone
CID 162677128
N,N-diethyl-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 112787506
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 112787517
N-[(2S)-butan-2-yl]-2-(6-methoxy-2-methylquinolin-4-yl)oxyacetamide
CID 40711295
2-[6-[2-[4-[[2-(6-methoxy-2-methylquinolin-4-yl)oxyacetyl]amino]-2-methylphenyl]ethoxy]-2-methylquinolin-4-yl]oxy-N-(4-methylphenyl)acetamide
CID 145208170
methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 1217063
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4220379
N'-[2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 3168482

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone (CID 162667689) is 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone is COc1ccc2nc(C)cc(OCC(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone?
The InChIKey is RFRRGLCDKUBPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-4-6-15(7-5-13)19(22)12-24-20-10-14(2)21-18-9-8-16(23-3)11-17(18)20/h4-11H,12H2,1-3H3.
What are the key properties of 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone?
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 162667689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).