5,6-dimethoxy-1,2-dimethyl-8aH-quinoline

C13H17NO2 — CID 143281182

IUPAC5,6-dimethoxy-1,2-dimethyl-8aH-quinoline
SMILESCOC1=C(OC)C2=CC=C(C)N(C)C2C=C1
InChIInChI=1S/C13H17NO2/c1-9-5-6-10-11(14(9)2)7-8-12(15-3)13(10)16-4/h5-8,11H,1-4H3
InChIKeyRFFVBPOPQVSCLS-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.20
Rot. Bonds2

About 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline

5,6-dimethoxy-1,2-dimethyl-8aH-quinoline (PubChem CID 143281182) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline.

Molecular Properties

Compound Name5,6-dimethoxy-1,2-dimethyl-8aH-quinoline
PubChem CID143281182
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5,6-dimethoxy-1,2-dimethyl-8aH-quinoline
SMILESCOC1=C(OC)C2=CC=C(C)N(C)C2C=C1
InChIInChI=1S/C13H17NO2/c1-9-5-6-10-11(14(9)2)7-8-12(15-3)13(10)16-4/h5-8,11H,1-4H3
InChIKeyRFFVBPOPQVSCLS-UHFFFAOYSA-N
XLogP2.20
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline?
The IUPAC name of 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline (CID 143281182) is 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline.
What is the SMILES notation for 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline?
The canonical SMILES for 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline is COC1=C(OC)C2=CC=C(C)N(C)C2C=C1.
What is the InChIKey of 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline?
The InChIKey is RFFVBPOPQVSCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-5-6-10-11(14(9)2)7-8-12(15-3)13(10)16-4/h5-8,11H,1-4H3.
What are the key properties of 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline?
5,6-dimethoxy-1,2-dimethyl-8aH-quinoline has a molecular weight of 219.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1,2-dimethyl-8aH-quinoline is sourced from PubChem (CID 143281182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).