6-phenyl-[1,3]dioxolo[4,5-g]quinoline

C16H11NO2 — CID 11953752

IUPAC6-phenyl-[1,3]dioxolo[4,5-g]quinoline
SMILESc1ccc(-c2ccc3cc4c(cc3n2)OCO4)cc1
InChIInChI=1S/C16H11NO2/c1-2-4-11(5-3-1)13-7-6-12-8-15-16(19-10-18-15)9-14(12)17-13/h1-9H,10H2
InChIKeyCGMFCRLSMYNYJO-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.63
Rot. Bonds1

About 6-phenyl-[1,3]dioxolo[4,5-g]quinoline

6-phenyl-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 11953752) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 6-phenyl-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name6-phenyl-[1,3]dioxolo[4,5-g]quinoline
PubChem CID11953752
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name6-phenyl-[1,3]dioxolo[4,5-g]quinoline
SMILESc1ccc(-c2ccc3cc4c(cc3n2)OCO4)cc1
InChIInChI=1S/C16H11NO2/c1-2-4-11(5-3-1)13-7-6-12-8-15-16(19-10-18-15)9-14(12)17-13/h1-9H,10H2
InChIKeyCGMFCRLSMYNYJO-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 6-phenyl-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 6-phenyl-[1,3]dioxolo[4,5-g]quinoline (CID 11953752) is 6-phenyl-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 6-phenyl-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 6-phenyl-[1,3]dioxolo[4,5-g]quinoline is c1ccc(-c2ccc3cc4c(cc3n2)OCO4)cc1.
What is the InChIKey of 6-phenyl-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is CGMFCRLSMYNYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-2-4-11(5-3-1)13-7-6-12-8-15-16(19-10-18-15)9-14(12)17-13/h1-9H,10H2.
What are the key properties of 6-phenyl-[1,3]dioxolo[4,5-g]quinoline?
6-phenyl-[1,3]dioxolo[4,5-g]quinoline 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 6-phenyl-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 11953752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).