3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene

C20H23NO2 — CID 70492426

IUPAC3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene
SMILESCOC1=CC(C)CC2=C1C1=C(OC)NCC3=C1C(=CC2)C=CC3
InChIInChI=1S/C20H23NO2/c1-12-9-14-8-7-13-5-4-6-15-11-21-20(23-3)19(17(13)15)18(14)16(10-12)22-2/h4-5,7,10,12,21H,6,8-9,11H2,1-3H3
InChIKeyOFQWZLNIXGRVAM-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.90
Rot. Bonds2

About 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene

3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene (PubChem CID 70492426) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene.

Molecular Properties

Compound Name3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene
PubChem CID70492426
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene
SMILESCOC1=CC(C)CC2=C1C1=C(OC)NCC3=C1C(=CC2)C=CC3
InChIInChI=1S/C20H23NO2/c1-12-9-14-8-7-13-5-4-6-15-11-21-20(23-3)19(17(13)15)18(14)16(10-12)22-2/h4-5,7,10,12,21H,6,8-9,11H2,1-3H3
InChIKeyOFQWZLNIXGRVAM-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene?
The IUPAC name of 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene (CID 70492426) is 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene.
What is the SMILES notation for 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene?
The canonical SMILES for 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene is COC1=CC(C)CC2=C1C1=C(OC)NCC3=C1C(=CC2)C=CC3.
What is the InChIKey of 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene?
The InChIKey is OFQWZLNIXGRVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12-9-14-8-7-13-5-4-6-15-11-21-20(23-3)19(17(13)15)18(14)16(10-12)22-2/h4-5,7,10,12,21H,6,8-9,11H2,1-3H3.
What are the key properties of 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene?
3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene has a molecular weight of 309.41 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,17-dimethoxy-5-methyl-16-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),2(7),3,9,11,14(18)-hexaene is sourced from PubChem (CID 70492426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).