7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline

C19H15NO3 — CID 59730748

IUPAC7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
SMILESCOc1ccc2c(Oc3ccc4cc(C)oc4c3)ccnc2c1
InChIInChI=1S/C19H15NO3/c1-12-9-13-3-4-15(11-19(13)22-12)23-18-7-8-20-17-10-14(21-2)5-6-16(17)18/h3-11H,1-2H3
InChIKeyCHHVDEDPZJUFTJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP5.09
Rot. Bonds3

About 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline

7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline (PubChem CID 59730748) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
PubChem CID59730748
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline
SMILESCOc1ccc2c(Oc3ccc4cc(C)oc4c3)ccnc2c1
InChIInChI=1S/C19H15NO3/c1-12-9-13-3-4-15(11-19(13)22-12)23-18-7-8-20-17-10-14(21-2)5-6-16(17)18/h3-11H,1-2H3
InChIKeyCHHVDEDPZJUFTJ-UHFFFAOYSA-N
XLogP5.09
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline?
The IUPAC name of 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline (CID 59730748) is 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline is COc1ccc2c(Oc3ccc4cc(C)oc4c3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline?
The InChIKey is CHHVDEDPZJUFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12-9-13-3-4-15(11-19(13)22-12)23-18-7-8-20-17-10-14(21-2)5-6-16(17)18/h3-11H,1-2H3.
What are the key properties of 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline?
7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline has a molecular weight of 305.33 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(2-methyl-1-benzofuran-6-yl)oxy]quinoline is sourced from PubChem (CID 59730748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).