8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

C24H22N4O — CID 70810166

IUPAC8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1C)-c1c(-c3ccc(-c4ccccn4)nc3)nc(C)n1CC2
InChIInChI=1S/C24H22N4O/c1-15-12-19-17(13-22(15)29-3)9-11-28-16(2)27-23(24(19)28)18-7-8-21(26-14-18)20-6-4-5-10-25-20/h4-8,10,12-14H,9,11H2,1-3H3
InChIKeyPQWCKECUEZYBKT-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.86
Rot. Bonds3

About 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline

8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 70810166) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID70810166
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1C)-c1c(-c3ccc(-c4ccccn4)nc3)nc(C)n1CC2
InChIInChI=1S/C24H22N4O/c1-15-12-19-17(13-22(15)29-3)9-11-28-16(2)27-23(24(19)28)18-7-8-21(26-14-18)20-6-4-5-10-25-20/h4-8,10,12-14H,9,11H2,1-3H3
InChIKeyPQWCKECUEZYBKT-UHFFFAOYSA-N
XLogP4.86
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 70810166) is 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1C)-c1c(-c3ccc(-c4ccccn4)nc3)nc(C)n1CC2.
What is the InChIKey of 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is PQWCKECUEZYBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-15-12-19-17(13-22(15)29-3)9-11-28-16(2)27-23(24(19)28)18-7-8-21(26-14-18)20-6-4-5-10-25-20/h4-8,10,12-14H,9,11H2,1-3H3.
What are the key properties of 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline?
8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 382.47 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3,9-dimethyl-1-(6-pyridin-2-yl-3-pyridinyl)-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 70810166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).