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

C19H19N3O2 — CID 50902291

IUPAC8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(C)n1CC2
InChIInChI=1S/C19H19N3O2/c1-12-21-18(14-5-4-7-20-11-14)19-15-10-17(24-3)16(23-2)9-13(15)6-8-22(12)19/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyTUBLFDLSEINHAR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.49
Rot. Bonds3

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

8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902291) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902291
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(C)n1CC2
InChIInChI=1S/C19H19N3O2/c1-12-21-18(14-5-4-7-20-11-14)19-15-10-17(24-3)16(23-2)9-13(15)6-8-22(12)19/h4-5,7,9-11H,6,8H2,1-3H3
InChIKeyTUBLFDLSEINHAR-UHFFFAOYSA-N
XLogP3.49
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.49
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-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902291) is 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3cccnc3)nc(C)n1CC2.
What is the InChIKey of 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is TUBLFDLSEINHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-21-18(14-5-4-7-20-11-14)19-15-10-17(24-3)16(23-2)9-13(15)6-8-22(12)19/h4-5,7,9-11H,6,8H2,1-3H3.
What are the key properties of 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 321.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-3-methyl-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).