4-methoxy-1,2,3,4-tetrahydroquinoline

C10H13NO — CID 82275496

IUPAC4-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CCNc2ccccc21
InChIInChI=1S/C10H13NO/c1-12-10-6-7-11-9-5-3-2-4-8(9)10/h2-5,10-11H,6-7H2,1H3
InChIKeyYELLUMXEKLYOOF-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.19
Rot. Bonds1

About 4-methoxy-1,2,3,4-tetrahydroquinoline

4-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 82275496) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 4-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID82275496
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name4-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CCNc2ccccc21
InChIInChI=1S/C10H13NO/c1-12-10-6-7-11-9-5-3-2-4-8(9)10/h2-5,10-11H,6-7H2,1H3
InChIKeyYELLUMXEKLYOOF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-methoxy-1,2,3,4-tetrahydroquinoline (CID 82275496) is 4-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-methoxy-1,2,3,4-tetrahydroquinoline is COC1CCNc2ccccc21.
What is the InChIKey of 4-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is YELLUMXEKLYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-10-6-7-11-9-5-3-2-4-8(9)10/h2-5,10-11H,6-7H2,1H3.
What are the key properties of 4-methoxy-1,2,3,4-tetrahydroquinoline?
4-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 163.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82275496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).