6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene

C20H26N2O2 — CID 162847841

IUPAC6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene
SMILESCOc1cccc2c1NC1CCC34CCOC3CCN3CCC21C34
InChIInChI=1S/C20H26N2O2/c1-23-14-4-2-3-13-17(14)21-15-5-7-19-9-12-24-16(19)6-10-22-11-8-20(13,15)18(19)22/h2-4,15-16,18,21H,5-12H2,1H3
InChIKeyMPEAAEUXFWYMLD-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.77
Rot. Bonds1

About 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene

6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene (PubChem CID 162847841) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene.

Molecular Properties

Compound Name6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene
PubChem CID162847841
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene
SMILESCOc1cccc2c1NC1CCC34CCOC3CCN3CCC21C34
InChIInChI=1S/C20H26N2O2/c1-23-14-4-2-3-13-17(14)21-15-5-7-19-9-12-24-16(19)6-10-22-11-8-20(13,15)18(19)22/h2-4,15-16,18,21H,5-12H2,1H3
InChIKeyMPEAAEUXFWYMLD-UHFFFAOYSA-N
XLogP2.77
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene?
The IUPAC name of 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene (CID 162847841) is 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene.
What is the SMILES notation for 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene?
The canonical SMILES for 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene is COc1cccc2c1NC1CCC34CCOC3CCN3CCC21C34.
What is the InChIKey of 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene?
The InChIKey is MPEAAEUXFWYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-14-4-2-3-13-17(14)21-15-5-7-19-9-12-24-16(19)6-10-22-11-8-20(13,15)18(19)22/h2-4,15-16,18,21H,5-12H2,1H3.
What are the key properties of 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene?
6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene has a molecular weight of 326.44 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2(7),3,5-triene is sourced from PubChem (CID 162847841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).