1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone

C21H21NO4 — CID 10066538

IUPAC1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone
SMILESCOc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC
InChIInChI=1S/C21H21NO4/c1-12-8-15(14(3)23)19(9-13(12)2)26-18-6-7-22-17-11-21(25-5)20(24-4)10-16(17)18/h6-11H,1-5H3
InChIKeyAAUXGXRHLYYHSO-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.86
Rot. Bonds5

About 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone

1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone (PubChem CID 10066538) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone
PubChem CID10066538
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone
SMILESCOc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC
InChIInChI=1S/C21H21NO4/c1-12-8-15(14(3)23)19(9-13(12)2)26-18-6-7-22-17-11-21(25-5)20(24-4)10-16(17)18/h6-11H,1-5H3
InChIKeyAAUXGXRHLYYHSO-UHFFFAOYSA-N
XLogP4.86
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone?
The IUPAC name of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone (CID 10066538) is 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone.
What is the SMILES notation for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone?
The canonical SMILES for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone is COc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC.
What is the InChIKey of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone?
The InChIKey is AAUXGXRHLYYHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-12-8-15(14(3)23)19(9-13(12)2)26-18-6-7-22-17-11-21(25-5)20(24-4)10-16(17)18/h6-11H,1-5H3.
What are the key properties of 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone?
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone has a molecular weight of 351.40 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]ethanone is sourced from PubChem (CID 10066538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).