6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline

C18H11NO3 — CID 141339139

IUPAC6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline
SMILESc1ccc2c(-c3ccc4cc5c(cc4n3)OCO5)coc2c1
InChIInChI=1S/C18H11NO3/c1-2-4-16-12(3-1)13(9-20-16)14-6-5-11-7-17-18(22-10-21-17)8-15(11)19-14/h1-9H,10H2
InChIKeyPJADDKOGKBKYOG-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.38
Rot. Bonds1

About 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline

6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 141339139) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline
PubChem CID141339139
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline
SMILESc1ccc2c(-c3ccc4cc5c(cc4n3)OCO5)coc2c1
InChIInChI=1S/C18H11NO3/c1-2-4-16-12(3-1)13(9-20-16)14-6-5-11-7-17-18(22-10-21-17)8-15(11)19-14/h1-9H,10H2
InChIKeyPJADDKOGKBKYOG-UHFFFAOYSA-N
XLogP4.38
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline (CID 141339139) is 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline is c1ccc2c(-c3ccc4cc5c(cc4n3)OCO5)coc2c1.
What is the InChIKey of 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is PJADDKOGKBKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c1-2-4-16-12(3-1)13(9-20-16)14-6-5-11-7-17-18(22-10-21-17)8-15(11)19-14/h1-9H,10H2.
What are the key properties of 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline?
6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 289.29 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-3-yl)-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 141339139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).