6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

C20H23NO3 — CID 10663827

IUPAC6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCOc1cc2c(cc1OC)C(CCc1ccccc1)N(C=O)CC2
InChIInChI=1S/C20H23NO3/c1-23-19-12-16-10-11-21(14-22)18(17(16)13-20(19)24-2)9-8-15-6-4-3-5-7-15/h3-7,12-14,18H,8-11H2,1-2H3
InChIKeyZWBRXWDAHPYWEZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.39
Rot. Bonds6

About 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (PubChem CID 10663827) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
PubChem CID10663827
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
SMILESCOc1cc2c(cc1OC)C(CCc1ccccc1)N(C=O)CC2
InChIInChI=1S/C20H23NO3/c1-23-19-12-16-10-11-21(14-22)18(17(16)13-20(19)24-2)9-8-15-6-4-3-5-7-15/h3-7,12-14,18H,8-11H2,1-2H3
InChIKeyZWBRXWDAHPYWEZ-UHFFFAOYSA-N
XLogP3.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Emetine
CID 10219
(-)-Tetrahydropalmatine
CID 72301
Emetine Hydrochloride
CID 6603320
Tetrabenazine
CID 6018
(+)-Glaucine
CID 16754
(+-)-Tetrahydroberberine
CID 34458
Drotaverine
CID 1712095
Laudanosine
CID 73397
Reticuline
CID 439653
6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquinoline
CID 27694
(-)-Nuciferine
CID 10146
Stepholidine
CID 6917970

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The IUPAC name of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde (CID 10663827) is 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde.
What is the SMILES notation for 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The canonical SMILES for 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is COc1cc2c(cc1OC)C(CCc1ccccc1)N(C=O)CC2.
What is the InChIKey of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
The InChIKey is ZWBRXWDAHPYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-23-19-12-16-10-11-21(14-22)18(17(16)13-20(19)24-2)9-8-15-6-4-3-5-7-15/h3-7,12-14,18H,8-11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde?
6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde has a molecular weight of 325.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carbaldehyde is sourced from PubChem (CID 10663827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).