11-phenoxy-[1]benzofuro[2,3-b]quinoline

C21H13NO2 — CID 45112092

IUPAC11-phenoxy-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(Oc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C21H13NO2/c1-2-8-14(9-3-1)23-20-15-10-4-6-12-17(15)22-21-19(20)16-11-5-7-13-18(16)24-21/h1-13H
InChIKeyOYYFKSYWJPJXFM-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.93
Rot. Bonds2

About 11-phenoxy-[1]benzofuro[2,3-b]quinoline

11-phenoxy-[1]benzofuro[2,3-b]quinoline (PubChem CID 45112092) has the molecular formula C21H13NO2 and a molecular weight of 311.34 g/mol. Its IUPAC name is 11-phenoxy-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name11-phenoxy-[1]benzofuro[2,3-b]quinoline
PubChem CID45112092
Molecular FormulaC21H13NO2
Molecular Weight311.34 g/mol
Exact Mass311.09
IUPAC Name11-phenoxy-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(Oc2c3ccccc3nc3oc4ccccc4c23)cc1
InChIInChI=1S/C21H13NO2/c1-2-8-14(9-3-1)23-20-15-10-4-6-12-17(15)22-21-19(20)16-11-5-7-13-18(16)24-21/h1-13H
InChIKeyOYYFKSYWJPJXFM-UHFFFAOYSA-N
XLogP5.93
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-phenoxy-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 11-phenoxy-[1]benzofuro[2,3-b]quinoline (CID 45112092) is 11-phenoxy-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 11-phenoxy-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 11-phenoxy-[1]benzofuro[2,3-b]quinoline is c1ccc(Oc2c3ccccc3nc3oc4ccccc4c23)cc1.
What is the InChIKey of 11-phenoxy-[1]benzofuro[2,3-b]quinoline?
The InChIKey is OYYFKSYWJPJXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO2/c1-2-8-14(9-3-1)23-20-15-10-4-6-12-17(15)22-21-19(20)16-11-5-7-13-18(16)24-21/h1-13H.
What are the key properties of 11-phenoxy-[1]benzofuro[2,3-b]quinoline?
11-phenoxy-[1]benzofuro[2,3-b]quinoline has a molecular weight of 311.34 g/mol, XLogP of 5.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenoxy-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 45112092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).