4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione

C16H15N3O3 — CID 90482516

IUPAC4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione
SMILESCOC1=CC23C4C5C6C5C2C3(C=C1)C6n1c(=O)n(C)c(=O)n14
InChIInChI=1S/C16H15N3O3/c1-17-13(20)18-11-8-7-9(8)12(19(18)14(17)21)16-5-6(22-2)3-4-15(11,16)10(7)16/h3-5,7-12H,1-2H3
InChIKeyIDJQKWWEOAOOGI-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.04
Rot. Bonds1

About 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione

4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione (PubChem CID 90482516) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione.

Molecular Properties

Compound Name4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione
PubChem CID90482516
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione
SMILESCOC1=CC23C4C5C6C5C2C3(C=C1)C6n1c(=O)n(C)c(=O)n14
InChIInChI=1S/C16H15N3O3/c1-17-13(20)18-11-8-7-9(8)12(19(18)14(17)21)16-5-6(22-2)3-4-15(11,16)10(7)16/h3-5,7-12H,1-2H3
InChIKeyIDJQKWWEOAOOGI-UHFFFAOYSA-N
XLogP0.04
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione?
The IUPAC name of 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione (CID 90482516) is 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione.
What is the SMILES notation for 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione?
The canonical SMILES for 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione is COC1=CC23C4C5C6C5C2C3(C=C1)C6n1c(=O)n(C)c(=O)n14.
What is the InChIKey of 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione?
The InChIKey is IDJQKWWEOAOOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-17-13(20)18-11-8-7-9(8)12(19(18)14(17)21)16-5-6(22-2)3-4-15(11,16)10(7)16/h3-5,7-12H,1-2H3.
What are the key properties of 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione?
4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione has a molecular weight of 297.31 g/mol, XLogP of 0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-15-methyl-13,15,17-triazaheptacyclo[8.7.0.02,7.02,8.07,12.09,11.013,17]heptadeca-3,5-diene-14,16-dione is sourced from PubChem (CID 90482516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).