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

C19H18N2O2 — CID 50902029

IUPAC8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccccc3)ncn1CC2
InChIInChI=1S/C19H18N2O2/c1-22-16-10-14-8-9-21-12-20-18(13-6-4-3-5-7-13)19(21)15(14)11-17(16)23-2/h3-7,10-12H,8-9H2,1-2H3
InChIKeyVNGKMURMGUXGAN-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.79
Rot. Bonds3

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

8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline (PubChem CID 50902029) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline.

Molecular Properties

Compound Name8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline
PubChem CID50902029
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1c(-c3ccccc3)ncn1CC2
InChIInChI=1S/C19H18N2O2/c1-22-16-10-14-8-9-21-12-20-18(13-6-4-3-5-7-13)19(21)15(14)11-17(16)23-2/h3-7,10-12H,8-9H2,1-2H3
InChIKeyVNGKMURMGUXGAN-UHFFFAOYSA-N
XLogP3.79
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The IUPAC name of 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline (CID 50902029) is 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline.
What is the SMILES notation for 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The canonical SMILES for 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline is COc1cc2c(cc1OC)-c1c(-c3ccccc3)ncn1CC2.
What is the InChIKey of 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
The InChIKey is VNGKMURMGUXGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-16-10-14-8-9-21-12-20-18(13-6-4-3-5-7-13)19(21)15(14)11-17(16)23-2/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline?
8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline has a molecular weight of 306.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline is sourced from PubChem (CID 50902029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).