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

C11H13NO2 — CID 140970249

IUPAC6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
SMILESCOc1ccc2c(c1)CCC(C=O)N2
InChIInChI=1S/C11H13NO2/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h4-7,9,12H,2-3H2,1H3
InChIKeyXFAOIOFWUBPUFQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.62
Rot. Bonds2

About 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde

6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde (PubChem CID 140970249) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
PubChem CID140970249
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde
SMILESCOc1ccc2c(c1)CCC(C=O)N2
InChIInChI=1S/C11H13NO2/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h4-7,9,12H,2-3H2,1H3
InChIKeyXFAOIOFWUBPUFQ-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde (CID 140970249) is 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde is COc1ccc2c(c1)CCC(C=O)N2.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde?
The InChIKey is XFAOIOFWUBPUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-10-4-5-11-8(6-10)2-3-9(7-13)12-11/h4-7,9,12H,2-3H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde?
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde has a molecular weight of 191.23 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroquinoline-2-carbaldehyde is sourced from PubChem (CID 140970249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).