8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

C20H20N2O3 — CID 50902113

IUPAC8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccccc3OC)ncn1CC2
InChIInChI=1S/C20H20N2O3/c1-23-16-7-5-4-6-14(16)19-20-15-11-18(25-3)17(24-2)10-13(15)8-9-22(20)12-21-19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyWTFRIMGWDNCXMM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.80
Rot. Bonds4

About 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902113) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902113
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccccc3OC)ncn1CC2
InChIInChI=1S/C20H20N2O3/c1-23-16-7-5-4-6-14(16)19-20-15-11-18(25-3)17(24-2)10-13(15)8-9-22(20)12-21-19/h4-7,10-12H,8-9H2,1-3H3
InChIKeyWTFRIMGWDNCXMM-UHFFFAOYSA-N
XLogP3.80
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902113) is 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3ccccc3OC)ncn1CC2.
What is the InChIKey of 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is WTFRIMGWDNCXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-23-16-7-5-4-6-14(16)19-20-15-11-18(25-3)17(24-2)10-13(15)8-9-22(20)12-21-19/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 336.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-(2-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).