1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

C21H25NO5 — CID 139635568

IUPAC1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCCOc1c(OC)cc(OC)cc1C1=NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H25NO5/c1-6-27-21-16(10-14(23-2)11-19(21)26-5)20-15-12-18(25-4)17(24-3)9-13(15)7-8-22-20/h9-12H,6-8H2,1-5H3
InChIKeyHHFLNSAYZINIPW-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.51
Rot. Bonds7

About 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 139635568) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID139635568
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCCOc1c(OC)cc(OC)cc1C1=NCCc2cc(OC)c(OC)cc21
InChIInChI=1S/C21H25NO5/c1-6-27-21-16(10-14(23-2)11-19(21)26-5)20-15-12-18(25-4)17(24-3)9-13(15)7-8-22-20/h9-12H,6-8H2,1-5H3
InChIKeyHHFLNSAYZINIPW-UHFFFAOYSA-N
XLogP3.51
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 139635568) is 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline is CCOc1c(OC)cc(OC)cc1C1=NCCc2cc(OC)c(OC)cc21.
What is the InChIKey of 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is HHFLNSAYZINIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-6-27-21-16(10-14(23-2)11-19(21)26-5)20-15-12-18(25-4)17(24-3)9-13(15)7-8-22-20/h9-12H,6-8H2,1-5H3.
What are the key properties of 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 371.43 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 139635568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).