7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

C29H40N2O4 — CID 146243266

IUPAC7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCOC1=C2CCCN3CCCC(=C23)C(OC)C1Cc1c(OC)c2c3c(c1OC)CCCN3CCC2
InChIInChI=1S/C29H40N2O4/c1-32-26-18-9-5-13-30-14-6-10-19(24(18)30)27(33-2)22(26)17-23-28(34-3)20-11-7-15-31-16-8-12-21(25(20)31)29(23)35-4/h22,26H,5-17H2,1-4H3
InChIKeyHZRGZINAAZRYRT-UHFFFAOYSA-N
MW480.65 g/mol
LogP4.63
Rot. Bonds6

About 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (PubChem CID 146243266) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.

Molecular Properties

Compound Name7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
PubChem CID146243266
Molecular FormulaC29H40N2O4
Molecular Weight480.65 g/mol
Exact Mass480.30
IUPAC Name7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCOC1=C2CCCN3CCCC(=C23)C(OC)C1Cc1c(OC)c2c3c(c1OC)CCCN3CCC2
InChIInChI=1S/C29H40N2O4/c1-32-26-18-9-5-13-30-14-6-10-19(24(18)30)27(33-2)22(26)17-23-28(34-3)20-11-7-15-31-16-8-12-21(25(20)31)29(23)35-4/h22,26H,5-17H2,1-4H3
InChIKeyHZRGZINAAZRYRT-UHFFFAOYSA-N
XLogP4.63
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The IUPAC name of 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (CID 146243266) is 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.
What is the SMILES notation for 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The canonical SMILES for 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is COC1=C2CCCN3CCCC(=C23)C(OC)C1Cc1c(OC)c2c3c(c1OC)CCCN3CCC2.
What is the InChIKey of 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The InChIKey is HZRGZINAAZRYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-32-26-18-9-5-13-30-14-6-10-19(24(18)30)27(33-2)22(26)17-23-28(34-3)20-11-7-15-31-16-8-12-21(25(20)31)29(23)35-4/h22,26H,5-17H2,1-4H3.
What are the key properties of 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene has a molecular weight of 480.65 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5,9(13)-dien-7-yl)methyl]-6,8-dimethoxy-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is sourced from PubChem (CID 146243266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).