4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene

C16H22N2O2 — CID 102894976

IUPAC4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
SMILESCOc1cc2c(cc1OC)N1CC3CCCC3C1CN2
InChIInChI=1S/C16H22N2O2/c1-19-15-6-12-13(7-16(15)20-2)18-9-10-4-3-5-11(10)14(18)8-17-12/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3
InChIKeyKQMWBTAXEFWLSU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.73
Rot. Bonds2

About 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene

4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene (PubChem CID 102894976) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene.

Molecular Properties

Compound Name4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
PubChem CID102894976
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene
SMILESCOc1cc2c(cc1OC)N1CC3CCCC3C1CN2
InChIInChI=1S/C16H22N2O2/c1-19-15-6-12-13(7-16(15)20-2)18-9-10-4-3-5-11(10)14(18)8-17-12/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3
InChIKeyKQMWBTAXEFWLSU-UHFFFAOYSA-N
XLogP2.73
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
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 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
The IUPAC name of 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene (CID 102894976) is 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene.
What is the SMILES notation for 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
The canonical SMILES for 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene is COc1cc2c(cc1OC)N1CC3CCCC3C1CN2.
What is the InChIKey of 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
The InChIKey is KQMWBTAXEFWLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-15-6-12-13(7-16(15)20-2)18-9-10-4-3-5-11(10)14(18)8-17-12/h6-7,10-11,14,17H,3-5,8-9H2,1-2H3.
What are the key properties of 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene?
4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene has a molecular weight of 274.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-1,8-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6-triene is sourced from PubChem (CID 102894976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).