[1,3]dioxolo[4,5-c]quinoline

C10H7NO2 — CID 45117306

IUPAC[1,3]dioxolo[4,5-c]quinoline
SMILESc1ccc2c3c(cnc2c1)OCO3
InChIInChI=1S/C10H7NO2/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1-5H,6H2
InChIKeyFLXXAOORYJOLJT-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.96
Rot. Bonds

About [1,3]dioxolo[4,5-c]quinoline

[1,3]dioxolo[4,5-c]quinoline (PubChem CID 45117306) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-c]quinoline.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-c]quinoline
PubChem CID45117306
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name[1,3]dioxolo[4,5-c]quinoline
SMILESc1ccc2c3c(cnc2c1)OCO3
InChIInChI=1S/C10H7NO2/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1-5H,6H2
InChIKeyFLXXAOORYJOLJT-UHFFFAOYSA-N
XLogP1.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methoxyquinoline
CID 70310
4-Methoxyquinoline
CID 521938
(R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)-[1,3]dioxolo[4,5-b]pyridine
CID 11660512
Trisphaeridine
CID 443684
8-(Difluoromethoxy)quinoline
CID 3239168
tert-Butyl 8-quinolyl carbonate
CID 87716
6,9-Dimethoxy-[1,3]dioxolo[4,5-b]quinoline
CID 10775978
Quinoline, 8-(ethenyloxy)-
CID 3054611
12,14-Dioxa-8-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),2(7),3,5,8,11(15),16-heptaene
CID 25093266
8-(Quinolin-8-yloxymethoxy)quinoline
CID 25267858
3-Phenoxyquinoline
CID 53320496
3-Vinyloxyquinoline
CID 3054471

Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-c]quinoline?
The IUPAC name of [1,3]dioxolo[4,5-c]quinoline (CID 45117306) is [1,3]dioxolo[4,5-c]quinoline.
What is the SMILES notation for [1,3]dioxolo[4,5-c]quinoline?
The canonical SMILES for [1,3]dioxolo[4,5-c]quinoline is c1ccc2c3c(cnc2c1)OCO3.
What is the InChIKey of [1,3]dioxolo[4,5-c]quinoline?
The InChIKey is FLXXAOORYJOLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1-5H,6H2.
What are the key properties of [1,3]dioxolo[4,5-c]quinoline?
[1,3]dioxolo[4,5-c]quinoline has a molecular weight of 173.17 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-c]quinoline is sourced from PubChem (CID 45117306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).