7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline

C16H11NO2 — CID 11107727

IUPAC7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1
InChIInChI=1S/C16H11NO2/c1-2-4-11(5-3-1)14-6-12-7-15-16(19-10-18-15)8-13(12)9-17-14/h1-9H,10H2
InChIKeyOOYRZAMSXKKWKK-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.63
Rot. Bonds1

About 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline

7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline (PubChem CID 11107727) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline.

Molecular Properties

Compound Name7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline
PubChem CID11107727
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline
SMILESc1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1
InChIInChI=1S/C16H11NO2/c1-2-4-11(5-3-1)14-6-12-7-15-16(19-10-18-15)8-13(12)9-17-14/h1-9H,10H2
InChIKeyOOYRZAMSXKKWKK-UHFFFAOYSA-N
XLogP3.63
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline?
The IUPAC name of 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline (CID 11107727) is 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline.
What is the SMILES notation for 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline?
The canonical SMILES for 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline is c1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1.
What is the InChIKey of 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline?
The InChIKey is OOYRZAMSXKKWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-2-4-11(5-3-1)14-6-12-7-15-16(19-10-18-15)8-13(12)9-17-14/h1-9H,10H2.
What are the key properties of 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline?
7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline has a molecular weight of 249.27 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-[1,3]dioxolo[4,5-g]isoquinoline is sourced from PubChem (CID 11107727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).