8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline

C12H19NO — CID 89302536

IUPAC8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline
SMILESCOC1=C2NCCC(C)(C)C2=CCC1
InChIInChI=1S/C12H19NO/c1-12(2)7-8-13-11-9(12)5-4-6-10(11)14-3/h5,13H,4,6-8H2,1-3H3
InChIKeyOHIKWDIPAJQXQH-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.58
Rot. Bonds1

About 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline

8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline (PubChem CID 89302536) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline
PubChem CID89302536
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline
SMILESCOC1=C2NCCC(C)(C)C2=CCC1
InChIInChI=1S/C12H19NO/c1-12(2)7-8-13-11-9(12)5-4-6-10(11)14-3/h5,13H,4,6-8H2,1-3H3
InChIKeyOHIKWDIPAJQXQH-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline?
The IUPAC name of 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline (CID 89302536) is 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline.
What is the SMILES notation for 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline?
The canonical SMILES for 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline is COC1=C2NCCC(C)(C)C2=CCC1.
What is the InChIKey of 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline?
The InChIKey is OHIKWDIPAJQXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(2)7-8-13-11-9(12)5-4-6-10(11)14-3/h5,13H,4,6-8H2,1-3H3.
What are the key properties of 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline?
8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline has a molecular weight of 193.29 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4,4-dimethyl-2,3,6,7-tetrahydro-1H-quinoline is sourced from PubChem (CID 89302536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).