2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline

C19H19NO3 — CID 45483590

IUPAC2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc3cccc(OC)c3n1CC2
InChIInChI=1S/C19H19NO3/c1-21-16-6-4-5-13-9-15-14-11-18(23-3)17(22-2)10-12(14)7-8-20(15)19(13)16/h4-6,9-11H,7-8H2,1-3H3
InChIKeyXCGKSOBHFWUMCE-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.89
Rot. Bonds3

About 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline

2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline (PubChem CID 45483590) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
PubChem CID45483590
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc3cccc(OC)c3n1CC2
InChIInChI=1S/C19H19NO3/c1-21-16-6-4-5-13-9-15-14-11-18(23-3)17(22-2)10-12(14)7-8-20(15)19(13)16/h4-6,9-11H,7-8H2,1-3H3
InChIKeyXCGKSOBHFWUMCE-UHFFFAOYSA-N
XLogP3.89
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
The IUPAC name of 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline (CID 45483590) is 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline.
What is the SMILES notation for 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
The canonical SMILES for 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline is COc1cc2c(cc1OC)-c1cc3cccc(OC)c3n1CC2.
What is the InChIKey of 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
The InChIKey is XCGKSOBHFWUMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-21-16-6-4-5-13-9-15-14-11-18(23-3)17(22-2)10-12(14)7-8-20(15)19(13)16/h4-6,9-11H,7-8H2,1-3H3.
What are the key properties of 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline has a molecular weight of 309.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline is sourced from PubChem (CID 45483590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).