4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium

C11H14NO+ — CID 163176136

IUPAC4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium
SMILESCOC1=C2C=CC=CC2[NH+](C)C=C1
InChIInChI=1S/C11H13NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8,10H,1-2H3/p+1
InChIKeyOXLGIAHOINLSLY-UHFFFAOYSA-O
MW176.24 g/mol
LogP0.42
Rot. Bonds1

About 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium

4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium (PubChem CID 163176136) has the molecular formula C11H14NO+ and a molecular weight of 176.24 g/mol. Its IUPAC name is 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium.

Molecular Properties

Compound Name4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium
PubChem CID163176136
Molecular FormulaC11H14NO+
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Name4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium
SMILESCOC1=C2C=CC=CC2[NH+](C)C=C1
InChIInChI=1S/C11H13NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8,10H,1-2H3/p+1
InChIKeyOXLGIAHOINLSLY-UHFFFAOYSA-O
XLogP0.42
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium?
The IUPAC name of 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium (CID 163176136) is 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium.
What is the SMILES notation for 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium?
The canonical SMILES for 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium is COC1=C2C=CC=CC2[NH+](C)C=C1.
What is the InChIKey of 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium?
The InChIKey is OXLGIAHOINLSLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13NO/c1-12-8-7-11(13-2)9-5-3-4-6-10(9)12/h3-8,10H,1-2H3/p+1.
What are the key properties of 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium?
4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium has a molecular weight of 176.24 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-1,8a-dihydroquinolin-1-ium is sourced from PubChem (CID 163176136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).