5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline

C10H11NO2 — CID 18998824

IUPAC5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline
SMILESc1c2c(cc3c1OCO3)NCCC2
InChIInChI=1S/C10H11NO2/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h4-5,11H,1-3,6H2
InChIKeyUMUXOAUTRXNEMQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.77
Rot. Bonds

About 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline

5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 18998824) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline
PubChem CID18998824
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline
SMILESc1c2c(cc3c1OCO3)NCCC2
InChIInChI=1S/C10H11NO2/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h4-5,11H,1-3,6H2
InChIKeyUMUXOAUTRXNEMQ-UHFFFAOYSA-N
XLogP1.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline (CID 18998824) is 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline is c1c2c(cc3c1OCO3)NCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is UMUXOAUTRXNEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-7-4-9-10(13-6-12-9)5-8(7)11-3-1/h4-5,11H,1-3,6H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline?
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 177.20 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 18998824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).