8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline

C12H17NO2 — CID 83883204

IUPAC8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCC1CCc2cccc(OC)c2N1
InChIInChI=1S/C12H17NO2/c1-14-8-10-7-6-9-4-3-5-11(15-2)12(9)13-10/h3-5,10,13H,6-8H2,1-2H3
InChIKeyLVMWHOQHQYMIQZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.07
Rot. Bonds3

About 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline

8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 83883204) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID83883204
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCC1CCc2cccc(OC)c2N1
InChIInChI=1S/C12H17NO2/c1-14-8-10-7-6-9-4-3-5-11(15-2)12(9)13-10/h3-5,10,13H,6-8H2,1-2H3
InChIKeyLVMWHOQHQYMIQZ-UHFFFAOYSA-N
XLogP2.07
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline (CID 83883204) is 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline is COCC1CCc2cccc(OC)c2N1.
What is the InChIKey of 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is LVMWHOQHQYMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-14-8-10-7-6-9-4-3-5-11(15-2)12(9)13-10/h3-5,10,13H,6-8H2,1-2H3.
What are the key properties of 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline?
8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 207.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(methoxymethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83883204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).