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

C18H21NO3 — CID 102280741

IUPAC6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C18H21NO3/c1-20-16-6-4-15(5-7-16)19-9-8-13-10-17(21-2)18(22-3)11-14(13)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyUCRUZSRRUXNPHE-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.28
Rot. Bonds4

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

6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 102280741) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
PubChem CID102280741
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(N2CCc3cc(OC)c(OC)cc3C2)cc1
InChIInChI=1S/C18H21NO3/c1-20-16-6-4-15(5-7-16)19-9-8-13-10-17(21-2)18(22-3)11-14(13)12-19/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyUCRUZSRRUXNPHE-UHFFFAOYSA-N
XLogP3.28
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline (CID 102280741) is 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline is COc1ccc(N2CCc3cc(OC)c(OC)cc3C2)cc1.
What is the InChIKey of 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is UCRUZSRRUXNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-20-16-6-4-15(5-7-16)19-9-8-13-10-17(21-2)18(22-3)11-14(13)12-19/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 299.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 102280741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).