5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene

C17H15N3O2 — CID 15627316

IUPAC5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene
SMILESCOc1ccc2c(c1)OC(C)(C)c1nc3cccnc3nc1-2
InChIInChI=1S/C17H15N3O2/c1-17(2)15-14(20-16-12(19-15)5-4-8-18-16)11-7-6-10(21-3)9-13(11)22-17/h4-9H,1-3H3
InChIKeyRUNPZBSGSMGRMF-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.33
Rot. Bonds1

About 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene

5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene (PubChem CID 15627316) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene.

Molecular Properties

Compound Name5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene
PubChem CID15627316
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene
SMILESCOc1ccc2c(c1)OC(C)(C)c1nc3cccnc3nc1-2
InChIInChI=1S/C17H15N3O2/c1-17(2)15-14(20-16-12(19-15)5-4-8-18-16)11-7-6-10(21-3)9-13(11)22-17/h4-9H,1-3H3
InChIKeyRUNPZBSGSMGRMF-UHFFFAOYSA-N
XLogP3.33
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene?
The IUPAC name of 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene (CID 15627316) is 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene.
What is the SMILES notation for 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene?
The canonical SMILES for 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene is COc1ccc2c(c1)OC(C)(C)c1nc3cccnc3nc1-2.
What is the InChIKey of 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene?
The InChIKey is RUNPZBSGSMGRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-17(2)15-14(20-16-12(19-15)5-4-8-18-16)11-7-6-10(21-3)9-13(11)22-17/h4-9H,1-3H3.
What are the key properties of 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene?
5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene has a molecular weight of 293.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-9,9-dimethyl-8-oxa-11,16,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2(7),3,5,10,12(17),13,15-octaene is sourced from PubChem (CID 15627316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).