13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine

C16H14N4O2 — CID 155805048

IUPAC13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine
SMILESCOc1cc2cn3c4cccnc4nc(N)c3c2cc1OC
InChIInChI=1S/C16H14N4O2/c1-21-12-6-9-8-20-11-4-3-5-18-16(11)19-15(17)14(20)10(9)7-13(12)22-2/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyWYANURYGBOKVHG-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.64
Rot. Bonds2

About 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine

13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine (PubChem CID 155805048) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine.

Molecular Properties

Compound Name13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine
PubChem CID155805048
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine
SMILESCOc1cc2cn3c4cccnc4nc(N)c3c2cc1OC
InChIInChI=1S/C16H14N4O2/c1-21-12-6-9-8-20-11-4-3-5-18-16(11)19-15(17)14(20)10(9)7-13(12)22-2/h3-8H,1-2H3,(H2,17,18,19)
InChIKeyWYANURYGBOKVHG-UHFFFAOYSA-N
XLogP2.64
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine?
The IUPAC name of 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine (CID 155805048) is 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine.
What is the SMILES notation for 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine?
The canonical SMILES for 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine is COc1cc2cn3c4cccnc4nc(N)c3c2cc1OC.
What is the InChIKey of 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine?
The InChIKey is WYANURYGBOKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-21-12-6-9-8-20-11-4-3-5-18-16(11)19-15(17)14(20)10(9)7-13(12)22-2/h3-8H,1-2H3,(H2,17,18,19).
What are the key properties of 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine?
13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine has a molecular weight of 294.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14-dimethoxy-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,8,10,12,14,16-octaen-9-amine is sourced from PubChem (CID 155805048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).