6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline

C11H15NO — CID 84656157

IUPAC6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1C)NCCC2
InChIInChI=1S/C11H15NO/c1-8-6-10-9(4-3-5-12-10)7-11(8)13-2/h6-7,12H,3-5H2,1-2H3
InChIKeyWZCYLWGAOQHVSL-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.36
Rot. Bonds1

About 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline

6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 84656157) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID84656157
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
SMILESCOc1cc2c(cc1C)NCCC2
InChIInChI=1S/C11H15NO/c1-8-6-10-9(4-3-5-12-10)7-11(8)13-2/h6-7,12H,3-5H2,1-2H3
InChIKeyWZCYLWGAOQHVSL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
6-methoxy-7-phenyl-1,2,3,4-tetrahydroquinoline
CID 23078397
7-(3,5-dimethylpiperazin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 22711838
7-methoxy-6-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82384226
7-tert-butyl-8-methoxy-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 82159104
7-bromo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 71757147
5-methoxy-2,3-dihydro-1H-indol-6-amine
CID 72710379
7-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 70470172
7-(2-methoxy-4,6-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 106781897
7-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224481
7,8-dimethoxy-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 79014767
5-(4-methoxy-3-methylphenyl)-2,3-dihydro-1H-indole
CID 62502645

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline (CID 84656157) is 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline is COc1cc2c(cc1C)NCCC2.
What is the InChIKey of 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is WZCYLWGAOQHVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-6-10-9(4-3-5-12-10)7-11(8)13-2/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline?
6-methoxy-7-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 6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84656157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).