7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione

C11H14N4O3 — CID 158821011

IUPAC7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
SMILESCOc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C11H14N4O3/c1-18-10-8(16)6-12-14-7-13-4-2-3-5-15(13)11(17)9(10)14/h6H,2-5,7H2,1H3
InChIKeyNSTAACGMGUAQGE-UHFFFAOYSA-N
MW250.26 g/mol
LogP-0.32
Rot. Bonds1

About 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione

7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione (PubChem CID 158821011) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione.

Molecular Properties

Compound Name7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
PubChem CID158821011
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Name7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione
SMILESCOc1c2n(ncc1=O)CN1CCCCN1C2=O
InChIInChI=1S/C11H14N4O3/c1-18-10-8(16)6-12-14-7-13-4-2-3-5-15(13)11(17)9(10)14/h6H,2-5,7H2,1H3
InChIKeyNSTAACGMGUAQGE-UHFFFAOYSA-N
XLogP-0.32
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The IUPAC name of 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione (CID 158821011) is 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione.
What is the SMILES notation for 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The canonical SMILES for 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione is COc1c2n(ncc1=O)CN1CCCCN1C2=O.
What is the InChIKey of 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
The InChIKey is NSTAACGMGUAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-18-10-8(16)6-12-14-7-13-4-2-3-5-15(13)11(17)9(10)14/h6H,2-5,7H2,1H3.
What are the key properties of 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione?
7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione has a molecular weight of 250.26 g/mol, XLogP of -0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1,3,4,10-tetrazatricyclo[8.4.0.03,8]tetradeca-4,7-diene-6,9-dione is sourced from PubChem (CID 158821011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).