4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one

C17H15N3O3 — CID 141184930

IUPAC4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
SMILESCOc1cc2c(=O)[nH]c3c(nc4c(C)cccn43)c2cc1OC
InChIInChI=1S/C17H15N3O3/c1-9-5-4-6-20-15(9)18-14-10-7-12(22-2)13(23-3)8-11(10)17(21)19-16(14)20/h4-8H,1-3H3,(H,19,21)
InChIKeyLVFLTKAZEKZFGE-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.65
Rot. Bonds2

About 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one

4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one (PubChem CID 141184930) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one.

Molecular Properties

Compound Name4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
PubChem CID141184930
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one
SMILESCOc1cc2c(=O)[nH]c3c(nc4c(C)cccn43)c2cc1OC
InChIInChI=1S/C17H15N3O3/c1-9-5-4-6-20-15(9)18-14-10-7-12(22-2)13(23-3)8-11(10)17(21)19-16(14)20/h4-8H,1-3H3,(H,19,21)
InChIKeyLVFLTKAZEKZFGE-UHFFFAOYSA-N
XLogP2.65
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one?
The IUPAC name of 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one (CID 141184930) is 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one.
What is the SMILES notation for 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one?
The canonical SMILES for 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one is COc1cc2c(=O)[nH]c3c(nc4c(C)cccn43)c2cc1OC.
What is the InChIKey of 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one?
The InChIKey is LVFLTKAZEKZFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-9-5-4-6-20-15(9)18-14-10-7-12(22-2)13(23-3)8-11(10)17(21)19-16(14)20/h4-8H,1-3H3,(H,19,21).
What are the key properties of 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one?
4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one has a molecular weight of 309.33 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-15-methyl-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-8-one is sourced from PubChem (CID 141184930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).