1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline

C21H22N2O3 — CID 50902206

IUPAC1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCCOc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1
InChIInChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3
InChIKeyPEQLYWXDQWUMMO-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.19
Rot. Bonds5

About 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline

1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902206) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902206
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCCOc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1
InChIInChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3
InChIKeyPEQLYWXDQWUMMO-UHFFFAOYSA-N
XLogP4.19
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902206) is 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline is CCOc1cccc(-c2ncn3c2-c2cc(OC)c(OC)cc2CC3)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is PEQLYWXDQWUMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3.
What are the key properties of 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline?
1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 350.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).