8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

C18H17N3O2 — CID 50902031

IUPAC8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccncc3)ncn1CC2
InChIInChI=1S/C18H17N3O2/c1-22-15-9-13-5-8-21-11-20-17(12-3-6-19-7-4-12)18(21)14(13)10-16(15)23-2/h3-4,6-7,9-11H,5,8H2,1-2H3
InChIKeyOFSGUSGTAAOXPH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.19
Rot. Bonds3

About 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902031) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902031
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccncc3)ncn1CC2
InChIInChI=1S/C18H17N3O2/c1-22-15-9-13-5-8-21-11-20-17(12-3-6-19-7-4-12)18(21)14(13)10-16(15)23-2/h3-4,6-7,9-11H,5,8H2,1-2H3
InChIKeyOFSGUSGTAAOXPH-UHFFFAOYSA-N
XLogP3.19
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.19
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-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902031) is 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3ccncc3)ncn1CC2.
What is the InChIKey of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is OFSGUSGTAAOXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-22-15-9-13-5-8-21-11-20-17(12-3-6-19-7-4-12)18(21)14(13)10-16(15)23-2/h3-4,6-7,9-11H,5,8H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 307.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).