5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

C17H18N2O2 — CID 15183879

IUPAC5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCOc1ccc2c(c1)CN1CN2Cc2cc(OC)ccc21
InChIInChI=1S/C17H18N2O2/c1-20-14-3-5-16-12(7-14)9-18-11-19(16)10-13-8-15(21-2)4-6-17(13)18/h3-8H,9-11H2,1-2H3
InChIKeyQXDRCMIAKQJVLR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.00
Rot. Bonds2

About 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (PubChem CID 15183879) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.

Molecular Properties

Compound Name5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
PubChem CID15183879
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCOc1ccc2c(c1)CN1CN2Cc2cc(OC)ccc21
InChIInChI=1S/C17H18N2O2/c1-20-14-3-5-16-12(7-14)9-18-11-19(16)10-13-8-15(21-2)4-6-17(13)18/h3-8H,9-11H2,1-2H3
InChIKeyQXDRCMIAKQJVLR-UHFFFAOYSA-N
XLogP3.00
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The IUPAC name of 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (CID 15183879) is 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.
What is the SMILES notation for 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The canonical SMILES for 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is COc1ccc2c(c1)CN1CN2Cc2cc(OC)ccc21.
What is the InChIKey of 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The InChIKey is QXDRCMIAKQJVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-14-3-5-16-12(7-14)9-18-11-19(16)10-13-8-15(21-2)4-6-17(13)18/h3-8H,9-11H2,1-2H3.
What are the key properties of 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene has a molecular weight of 282.34 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-dimethoxy-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is sourced from PubChem (CID 15183879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).