5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

C21H25NO6 — CID 11372619

IUPAC5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCOc1cc(C2c3ccc(OC)c(OC)c3CCN2C=O)cc(OC)c1OC
InChIInChI=1S/C21H25NO6/c1-24-16-7-6-14-15(20(16)27-4)8-9-22(12-23)19(14)13-10-17(25-2)21(28-5)18(11-13)26-3/h6-7,10-12,19H,8-9H2,1-5H3
InChIKeyPLMIJJOCKSYIFQ-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.83
Rot. Bonds7

About 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (PubChem CID 11372619) has the molecular formula C21H25NO6 and a molecular weight of 387.43 g/mol. Its IUPAC name is 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
PubChem CID11372619
Molecular FormulaC21H25NO6
Molecular Weight387.43 g/mol
Exact Mass387.17
IUPAC Name5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCOc1cc(C2c3ccc(OC)c(OC)c3CCN2C=O)cc(OC)c1OC
InChIInChI=1S/C21H25NO6/c1-24-16-7-6-14-15(20(16)27-4)8-9-22(12-23)19(14)13-10-17(25-2)21(28-5)18(11-13)26-3/h6-7,10-12,19H,8-9H2,1-5H3
InChIKeyPLMIJJOCKSYIFQ-UHFFFAOYSA-N
XLogP2.83
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-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 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The IUPAC name of 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (CID 11372619) is 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
What is the SMILES notation for 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The canonical SMILES for 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is COc1cc(C2c3ccc(OC)c(OC)c3CCN2C=O)cc(OC)c1OC.
What is the InChIKey of 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The InChIKey is PLMIJJOCKSYIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO6/c1-24-16-7-6-14-15(20(16)27-4)8-9-22(12-23)19(14)13-10-17(25-2)21(28-5)18(11-13)26-3/h6-7,10-12,19H,8-9H2,1-5H3.
What are the key properties of 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde has a molecular weight of 387.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is sourced from PubChem (CID 11372619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).