2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde

C18H20N2O2 — CID 174579254

IUPAC2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCOCCN1Cc2cc(-c3cccnc3)cc(C)c2C1C=O
InChIInChI=1S/C18H20N2O2/c1-13-8-15(14-4-3-5-19-10-14)9-16-11-20(6-7-22-2)17(12-21)18(13)16/h3-5,8-10,12,17H,6-7,11H2,1-2H3
InChIKeySDRUAHCECMCHOY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.76
Rot. Bonds5

About 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde

2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde (PubChem CID 174579254) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde
PubChem CID174579254
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde
SMILESCOCCN1Cc2cc(-c3cccnc3)cc(C)c2C1C=O
InChIInChI=1S/C18H20N2O2/c1-13-8-15(14-4-3-5-19-10-14)9-16-11-20(6-7-22-2)17(12-21)18(13)16/h3-5,8-10,12,17H,6-7,11H2,1-2H3
InChIKeySDRUAHCECMCHOY-UHFFFAOYSA-N
XLogP2.76
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde?
The IUPAC name of 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde (CID 174579254) is 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde?
The canonical SMILES for 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde is COCCN1Cc2cc(-c3cccnc3)cc(C)c2C1C=O.
What is the InChIKey of 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde?
The InChIKey is SDRUAHCECMCHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-8-15(14-4-3-5-19-10-14)9-16-11-20(6-7-22-2)17(12-21)18(13)16/h3-5,8-10,12,17H,6-7,11H2,1-2H3.
What are the key properties of 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde?
2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde has a molecular weight of 296.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-7-methyl-5-pyridin-3-yl-1,3-dihydroisoindole-1-carbaldehyde is sourced from PubChem (CID 174579254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).