2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

C13H17NO2 — CID 163905685

IUPAC2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESCOC(C)c1nc2c(cc1C=O)CCCC2
InChIInChI=1S/C13H17NO2/c1-9(16-2)13-11(8-15)7-10-5-3-4-6-12(10)14-13/h7-9H,3-6H2,1-2H3
InChIKeyIIIGUALXUKYRPJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.48
Rot. Bonds3

About 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde

2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (PubChem CID 163905685) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
PubChem CID163905685
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
SMILESCOC(C)c1nc2c(cc1C=O)CCCC2
InChIInChI=1S/C13H17NO2/c1-9(16-2)13-11(8-15)7-10-5-3-4-6-12(10)14-13/h7-9H,3-6H2,1-2H3
InChIKeyIIIGUALXUKYRPJ-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The IUPAC name of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde (CID 163905685) is 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde.
What is the SMILES notation for 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The canonical SMILES for 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is COC(C)c1nc2c(cc1C=O)CCCC2.
What is the InChIKey of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
The InChIKey is IIIGUALXUKYRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(16-2)13-11(8-15)7-10-5-3-4-6-12(10)14-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde?
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde has a molecular weight of 219.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde is sourced from PubChem (CID 163905685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).