6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C21H21NO6 — CID 139055544

IUPAC6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCOc1cc2c(c(OC)c1OC)-c1c(OC)c(OC)c(OC)c3ccnc-2c13
InChIInChI=1S/C21H21NO6/c1-23-12-9-11-14(19(26-4)18(12)25-3)15-13-10(7-8-22-16(11)13)17(24-2)21(28-6)20(15)27-5/h7-9H,1-6H3
InChIKeyQHHBTIHUAGZLEI-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.93
Rot. Bonds6

About 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 139055544) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID139055544
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Name6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCOc1cc2c(c(OC)c1OC)-c1c(OC)c(OC)c(OC)c3ccnc-2c13
InChIInChI=1S/C21H21NO6/c1-23-12-9-11-14(19(26-4)18(12)25-3)15-13-10(7-8-22-16(11)13)17(24-2)21(28-6)20(15)27-5/h7-9H,1-6H3
InChIKeyQHHBTIHUAGZLEI-UHFFFAOYSA-N
XLogP3.93
TPSA68.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 139055544) is 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is COc1cc2c(c(OC)c1OC)-c1c(OC)c(OC)c(OC)c3ccnc-2c13.
What is the InChIKey of 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is QHHBTIHUAGZLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO6/c1-23-12-9-11-14(19(26-4)18(12)25-3)15-13-10(7-8-22-16(11)13)17(24-2)21(28-6)20(15)27-5/h7-9H,1-6H3.
What are the key properties of 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 383.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,11,12,13-hexamethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 139055544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).