5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

C14H10N4O — CID 54613488

IUPAC5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
SMILESCOc1ccc2c(c1)nnc1c3cccnc3[nH]c21
InChIInChI=1S/C14H10N4O/c1-19-8-4-5-9-11(7-8)17-18-13-10-3-2-6-15-14(10)16-12(9)13/h2-7H,1H3,(H,15,16)
InChIKeyAOCIVXMWBPBAKU-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.67
Rot. Bonds1

About 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene

5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (PubChem CID 54613488) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.

Molecular Properties

Compound Name5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
PubChem CID54613488
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene
SMILESCOc1ccc2c(c1)nnc1c3cccnc3[nH]c21
InChIInChI=1S/C14H10N4O/c1-19-8-4-5-9-11(7-8)17-18-13-10-3-2-6-15-14(10)16-12(9)13/h2-7H,1H3,(H,15,16)
InChIKeyAOCIVXMWBPBAKU-UHFFFAOYSA-N
XLogP2.67
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The IUPAC name of 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene (CID 54613488) is 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene.
What is the SMILES notation for 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The canonical SMILES for 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is COc1ccc2c(c1)nnc1c3cccnc3[nH]c21.
What is the InChIKey of 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
The InChIKey is AOCIVXMWBPBAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-19-8-4-5-9-11(7-8)17-18-13-10-3-2-6-15-14(10)16-12(9)13/h2-7H,1H3,(H,15,16).
What are the key properties of 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene?
5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene has a molecular weight of 250.26 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8,9,15,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene is sourced from PubChem (CID 54613488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).