5,8-dimethoxy-1,2,3,4-tetrahydroquinoline

C11H15NO2 — CID 11116896

IUPAC5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(OC)c2c1CCCN2
InChIInChI=1S/C11H15NO2/c1-13-9-5-6-10(14-2)11-8(9)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3
InChIKeyYWRFFFKWNVLHRK-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.06
Rot. Bonds2

About 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline

5,8-dimethoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 11116896) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
PubChem CID11116896
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5,8-dimethoxy-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(OC)c2c1CCCN2
InChIInChI=1S/C11H15NO2/c1-13-9-5-6-10(14-2)11-8(9)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3
InChIKeyYWRFFFKWNVLHRK-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline (CID 11116896) is 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline is COc1ccc(OC)c2c1CCCN2.
What is the InChIKey of 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is YWRFFFKWNVLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-13-9-5-6-10(14-2)11-8(9)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline?
5,8-dimethoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 193.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 11116896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).