8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline

C11H15NO — CID 16789499

IUPAC8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(C)c2c1NCCC2
InChIInChI=1S/C11H15NO/c1-8-5-6-10(13-2)11-9(8)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3
InChIKeyDQAJTBHMPZTUNX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds1

About 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline

8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 16789499) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID16789499
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1ccc(C)c2c1NCCC2
InChIInChI=1S/C11H15NO/c1-8-5-6-10(13-2)11-9(8)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3
InChIKeyDQAJTBHMPZTUNX-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline (CID 16789499) is 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline is COc1ccc(C)c2c1NCCC2.
What is the InChIKey of 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is DQAJTBHMPZTUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-5-6-10(13-2)11-9(8)4-3-7-12-11/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline?
8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 177.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 16789499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).