2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C22H26N2O2 — CID 3048660

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccc2c(c1)C(OC1CC3CCC(C1)N3)c1cccnc1CC2
InChIInChI=1S/C22H26N2O2/c1-25-17-8-4-14-5-9-21-19(3-2-10-23-21)22(20(14)13-17)26-18-11-15-6-7-16(12-18)24-15/h2-4,8,10,13,15-16,18,22,24H,5-7,9,11-12H2,1H3
InChIKeyYFYVSRNSUJGOCJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.58
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 3048660) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID3048660
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESCOc1ccc2c(c1)C(OC1CC3CCC(C1)N3)c1cccnc1CC2
InChIInChI=1S/C22H26N2O2/c1-25-17-8-4-14-5-9-21-19(3-2-10-23-21)22(20(14)13-17)26-18-11-15-6-7-16(12-18)24-15/h2-4,8,10,13,15-16,18,22,24H,5-7,9,11-12H2,1H3
InChIKeyYFYVSRNSUJGOCJ-UHFFFAOYSA-N
XLogP3.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 3048660) is 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is COc1ccc2c(c1)C(OC1CC3CCC(C1)N3)c1cccnc1CC2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is YFYVSRNSUJGOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-25-17-8-4-14-5-9-21-19(3-2-10-23-21)22(20(14)13-17)26-18-11-15-6-7-16(12-18)24-15/h2-4,8,10,13,15-16,18,22,24H,5-7,9,11-12H2,1H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 350.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yloxy)-14-methoxy-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 3048660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).