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

C18H17NO2 — CID 45483588

IUPAC2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc3ccccc3n1CC2
InChIInChI=1S/C18H17NO2/c1-20-17-10-12-7-8-19-15-6-4-3-5-13(15)9-16(19)14(12)11-18(17)21-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMFQYVYNKKZAGQO-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.88
Rot. Bonds2

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

2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline (PubChem CID 45483588) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
PubChem CID45483588
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline
SMILESCOc1cc2c(cc1OC)-c1cc3ccccc3n1CC2
InChIInChI=1S/C18H17NO2/c1-20-17-10-12-7-8-19-15-6-4-3-5-13(15)9-16(19)14(12)11-18(17)21-2/h3-6,9-11H,7-8H2,1-2H3
InChIKeyMFQYVYNKKZAGQO-UHFFFAOYSA-N
XLogP3.88
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
The IUPAC name of 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline (CID 45483588) is 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline.
What is the SMILES notation for 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
The canonical SMILES for 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline is COc1cc2c(cc1OC)-c1cc3ccccc3n1CC2.
What is the InChIKey of 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
The InChIKey is MFQYVYNKKZAGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-20-17-10-12-7-8-19-15-6-4-3-5-13(15)9-16(19)14(12)11-18(17)21-2/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline?
2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline has a molecular weight of 279.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-5,6-dihydroindolo[2,1-a]isoquinoline is sourced from PubChem (CID 45483588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).