6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C18H15N3O2 — CID 11840755

IUPAC6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCCOc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12
InChIInChI=1S/C18H15N3O2/c1-3-22-18-16-15(19-10-20-18)14-11(2)9-13(21-17(14)23-16)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyPLPKNGWILGCVAY-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.15
Rot. Bonds3

About 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 11840755) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID11840755
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCCOc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12
InChIInChI=1S/C18H15N3O2/c1-3-22-18-16-15(19-10-20-18)14-11(2)9-13(21-17(14)23-16)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKeyPLPKNGWILGCVAY-UHFFFAOYSA-N
XLogP4.15
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 11840755) is 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CCOc1ncnc2c1oc1nc(-c3ccccc3)cc(C)c12.
What is the InChIKey of 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is PLPKNGWILGCVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-3-22-18-16-15(19-10-20-18)14-11(2)9-13(21-17(14)23-16)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3.
What are the key properties of 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 305.34 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-13-methyl-11-phenyl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 11840755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).