6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline

C12H11NO4 — CID 10775978

IUPAC6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline
SMILESCOc1ccc2c(OC)c3c(nc2c1)OCO3
InChIInChI=1S/C12H11NO4/c1-14-7-3-4-8-9(5-7)13-12-11(10(8)15-2)16-6-17-12/h3-5H,6H2,1-2H3
InChIKeyJOYNNZYGFVXVEZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.98
Rot. Bonds2

About 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline

6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline (PubChem CID 10775978) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline.

Molecular Properties

Compound Name6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline
PubChem CID10775978
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline
SMILESCOc1ccc2c(OC)c3c(nc2c1)OCO3
InChIInChI=1S/C12H11NO4/c1-14-7-3-4-8-9(5-7)13-12-11(10(8)15-2)16-6-17-12/h3-5H,6H2,1-2H3
InChIKeyJOYNNZYGFVXVEZ-UHFFFAOYSA-N
XLogP1.98
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline?
The IUPAC name of 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline (CID 10775978) is 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline.
What is the SMILES notation for 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline?
The canonical SMILES for 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline is COc1ccc2c(OC)c3c(nc2c1)OCO3.
What is the InChIKey of 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline?
The InChIKey is JOYNNZYGFVXVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c1-14-7-3-4-8-9(5-7)13-12-11(10(8)15-2)16-6-17-12/h3-5H,6H2,1-2H3.
What are the key properties of 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline?
6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline has a molecular weight of 233.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethoxy-[1,3]dioxolo[4,5-b]quinoline is sourced from PubChem (CID 10775978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).