6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline

C18H19NO3 — CID 872504

IUPAC6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
SMILESCOc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H19NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUQYSBDOHIQHGKF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.11
Rot. Bonds4

About 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline

6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline (PubChem CID 872504) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
PubChem CID872504
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline
SMILESCOc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H19NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyUQYSBDOHIQHGKF-UHFFFAOYSA-N
XLogP3.11
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline (CID 872504) is 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline is COc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline?
The InChIKey is UQYSBDOHIQHGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-20-14-6-4-12(5-7-14)18-15-11-17(22-3)16(21-2)10-13(15)8-9-19-18/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline has a molecular weight of 297.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 872504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).