3-(6,7-dimethoxyquinolin-4-yl)oxyphenol

C17H15NO4 — CID 22646527

IUPAC3-(6,7-dimethoxyquinolin-4-yl)oxyphenol
SMILESCOc1cc2nccc(Oc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H15NO4/c1-20-16-9-13-14(10-17(16)21-2)18-7-6-15(13)22-12-5-3-4-11(19)8-12/h3-10,19H,1-2H3
InChIKeyCGIFTRWAYIWEGG-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.75
Rot. Bonds4

About 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol

3-(6,7-dimethoxyquinolin-4-yl)oxyphenol (PubChem CID 22646527) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol.

Molecular Properties

Compound Name3-(6,7-dimethoxyquinolin-4-yl)oxyphenol
PubChem CID22646527
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name3-(6,7-dimethoxyquinolin-4-yl)oxyphenol
SMILESCOc1cc2nccc(Oc3cccc(O)c3)c2cc1OC
InChIInChI=1S/C17H15NO4/c1-20-16-9-13-14(10-17(16)21-2)18-7-6-15(13)22-12-5-3-4-11(19)8-12/h3-10,19H,1-2H3
InChIKeyCGIFTRWAYIWEGG-UHFFFAOYSA-N
XLogP3.75
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol?
The IUPAC name of 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol (CID 22646527) is 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol.
What is the SMILES notation for 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol?
The canonical SMILES for 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol is COc1cc2nccc(Oc3cccc(O)c3)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol?
The InChIKey is CGIFTRWAYIWEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-20-16-9-13-14(10-17(16)21-2)18-7-6-15(13)22-12-5-3-4-11(19)8-12/h3-10,19H,1-2H3.
What are the key properties of 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol?
3-(6,7-dimethoxyquinolin-4-yl)oxyphenol has a molecular weight of 297.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxyquinolin-4-yl)oxyphenol is sourced from PubChem (CID 22646527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).