4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene

C16H15N3O2 — CID 67809413

IUPAC4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
SMILESCOc1cc2c(cc1OC)-c1c3cnncc3cn1CC2
InChIInChI=1S/C16H15N3O2/c1-20-14-5-10-3-4-19-9-11-7-17-18-8-13(11)16(19)12(10)6-15(14)21-2/h5-9H,3-4H2,1-2H3
InChIKeyRHDKJWICKKMYDM-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.67
Rot. Bonds2

About 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene

4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene (PubChem CID 67809413) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene.

Molecular Properties

Compound Name4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
PubChem CID67809413
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene
SMILESCOc1cc2c(cc1OC)-c1c3cnncc3cn1CC2
InChIInChI=1S/C16H15N3O2/c1-20-14-5-10-3-4-19-9-11-7-17-18-8-13(11)16(19)12(10)6-15(14)21-2/h5-9H,3-4H2,1-2H3
InChIKeyRHDKJWICKKMYDM-UHFFFAOYSA-N
XLogP2.67
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The IUPAC name of 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene (CID 67809413) is 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene.
What is the SMILES notation for 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The canonical SMILES for 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene is COc1cc2c(cc1OC)-c1c3cnncc3cn1CC2.
What is the InChIKey of 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
The InChIKey is RHDKJWICKKMYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-20-14-5-10-3-4-19-9-11-7-17-18-8-13(11)16(19)12(10)6-15(14)21-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene?
4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene has a molecular weight of 281.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,4,6,11,13,15-heptaene is sourced from PubChem (CID 67809413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).