8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

C24H21N3O2 — CID 70810136

IUPAC8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(-c3ccccc3)n1CC2
InChIInChI=1S/C24H21N3O2/c1-28-20-13-17-10-12-27-23(19(17)14-21(20)29-2)22(18-9-6-11-25-15-18)26-24(27)16-7-4-3-5-8-16/h3-9,11,13-15H,10,12H2,1-2H3
InChIKeyDKSFKAAKWPYNKO-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.85
Rot. Bonds4

About 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline

8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 70810136) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID70810136
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(-c3ccccc3)n1CC2
InChIInChI=1S/C24H21N3O2/c1-28-20-13-17-10-12-27-23(19(17)14-21(20)29-2)22(18-9-6-11-25-15-18)26-24(27)16-7-4-3-5-8-16/h3-9,11,13-15H,10,12H2,1-2H3
InChIKeyDKSFKAAKWPYNKO-UHFFFAOYSA-N
XLogP4.85
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 70810136) is 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(-c3ccccc3)n1CC2.
What is the InChIKey of 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is DKSFKAAKWPYNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-28-20-13-17-10-12-27-23(19(17)14-21(20)29-2)22(18-9-6-11-25-15-18)26-24(27)16-7-4-3-5-8-16/h3-9,11,13-15H,10,12H2,1-2H3.
What are the key properties of 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 383.45 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-3-phenyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 70810136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).