7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C16H13N3O — CID 11021716

IUPAC7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCOc1nccc2c(C)c3[nH]c4ccncc4c3cc12
InChIInChI=1S/C16H13N3O/c1-9-10-3-6-18-16(20-2)12(10)7-11-13-8-17-5-4-14(13)19-15(9)11/h3-8,19H,1-2H3
InChIKeyMBZMDVDBPUVSNW-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.58
Rot. Bonds1

About 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 11021716) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID11021716
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESCOc1nccc2c(C)c3[nH]c4ccncc4c3cc12
InChIInChI=1S/C16H13N3O/c1-9-10-3-6-18-16(20-2)12(10)7-11-13-8-17-5-4-14(13)19-15(9)11/h3-8,19H,1-2H3
InChIKeyMBZMDVDBPUVSNW-UHFFFAOYSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 11021716) is 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is COc1nccc2c(C)c3[nH]c4ccncc4c3cc12.
What is the InChIKey of 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is MBZMDVDBPUVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-9-10-3-6-18-16(20-2)12(10)7-11-13-8-17-5-4-14(13)19-15(9)11/h3-8,19H,1-2H3.
What are the key properties of 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 263.30 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-6,13,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 11021716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).