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

C10H13NO — CID 19697700

IUPAC3-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CNc2ccccc2C1
InChIInChI=1S/C10H13NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyCPDOJSRBHVZCHI-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.67
Rot. Bonds1

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

3-methoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 19697700) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-methoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-methoxy-1,2,3,4-tetrahydroquinoline
PubChem CID19697700
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-methoxy-1,2,3,4-tetrahydroquinoline
SMILESCOC1CNc2ccccc2C1
InChIInChI=1S/C10H13NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-5,9,11H,6-7H2,1H3
InChIKeyCPDOJSRBHVZCHI-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-methoxy-1,2,3,4-tetrahydroquinoline (CID 19697700) is 3-methoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-methoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-methoxy-1,2,3,4-tetrahydroquinoline is COC1CNc2ccccc2C1.
What is the InChIKey of 3-methoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is CPDOJSRBHVZCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-12-9-6-8-4-2-3-5-10(8)11-7-9/h2-5,9,11H,6-7H2,1H3.
What are the key properties of 3-methoxy-1,2,3,4-tetrahydroquinoline?
3-methoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 163.22 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 19697700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).