6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline

C13H19NO2 — CID 84623888

IUPAC6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCC1CCNc2ccc(OC)cc21
InChIInChI=1S/C13H19NO2/c1-15-8-6-10-5-7-14-13-4-3-11(16-2)9-12(10)13/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyXDZVAKGDMYDWJG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.63
Rot. Bonds4

About 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline

6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 84623888) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID84623888
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
SMILESCOCCC1CCNc2ccc(OC)cc21
InChIInChI=1S/C13H19NO2/c1-15-8-6-10-5-7-14-13-4-3-11(16-2)9-12(10)13/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyXDZVAKGDMYDWJG-UHFFFAOYSA-N
XLogP2.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyethyl)-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84620577
6-ethyl-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623375
6-methoxy-4-(2-methoxyethyl)-8-methyl-1,2,3,4-tetrahydroquinoline
CID 84628183
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 105472992
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
(4S)-7-methoxy-4-methyl-1,2,3,4-tetrahydroquinoline
CID 96629809
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
CID 115004341
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline (CID 84623888) is 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline is COCCC1CCNc2ccc(OC)cc21.
What is the InChIKey of 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is XDZVAKGDMYDWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-8-6-10-5-7-14-13-4-3-11(16-2)9-12(10)13/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline?
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 221.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84623888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).