6,7-dimethoxy-4-phenoxyquinoline

C17H15NO3 — CID 13085778

IUPAC6,7-dimethoxy-4-phenoxyquinoline
SMILESCOc1cc2nccc(Oc3ccccc3)c2cc1OC
InChIInChI=1S/C17H15NO3/c1-19-16-10-13-14(11-17(16)20-2)18-9-8-15(13)21-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyZQNTXGWAYYJCOZ-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.04
Rot. Bonds4

About 6,7-dimethoxy-4-phenoxyquinoline

6,7-dimethoxy-4-phenoxyquinoline (PubChem CID 13085778) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 6,7-dimethoxy-4-phenoxyquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-phenoxyquinoline
PubChem CID13085778
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name6,7-dimethoxy-4-phenoxyquinoline
SMILESCOc1cc2nccc(Oc3ccccc3)c2cc1OC
InChIInChI=1S/C17H15NO3/c1-19-16-10-13-14(11-17(16)20-2)18-9-8-15(13)21-12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyZQNTXGWAYYJCOZ-UHFFFAOYSA-N
XLogP4.04
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-phenoxyquinoline?
The IUPAC name of 6,7-dimethoxy-4-phenoxyquinoline (CID 13085778) is 6,7-dimethoxy-4-phenoxyquinoline.
What is the SMILES notation for 6,7-dimethoxy-4-phenoxyquinoline?
The canonical SMILES for 6,7-dimethoxy-4-phenoxyquinoline is COc1cc2nccc(Oc3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-phenoxyquinoline?
The InChIKey is ZQNTXGWAYYJCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-16-10-13-14(11-17(16)20-2)18-9-8-15(13)21-12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-phenoxyquinoline?
6,7-dimethoxy-4-phenoxyquinoline has a molecular weight of 281.31 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-phenoxyquinoline is sourced from PubChem (CID 13085778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).