2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one

C18H16N2O2 — CID 11162143

IUPAC2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
SMILESCOc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1
InChIInChI=1S/C18H16N2O2/c1-22-14-7-5-12(6-8-14)16-11-13-3-2-4-15-17(13)20(16)10-9-19-18(15)21/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyAZYLAFXUHVEYAA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.06
Rot. Bonds2

About 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one

2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one (PubChem CID 11162143) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
PubChem CID11162143
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one
SMILESCOc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1
InChIInChI=1S/C18H16N2O2/c1-22-14-7-5-12(6-8-14)16-11-13-3-2-4-15-17(13)20(16)10-9-19-18(15)21/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyAZYLAFXUHVEYAA-UHFFFAOYSA-N
XLogP3.06
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one 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 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
The IUPAC name of 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one (CID 11162143) is 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
The canonical SMILES for 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one is COc1ccc(-c2cc3cccc4c3n2CCNC4=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
The InChIKey is AZYLAFXUHVEYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-22-14-7-5-12(6-8-14)16-11-13-3-2-4-15-17(13)20(16)10-9-19-18(15)21/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one?
2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one has a molecular weight of 292.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-9-one is sourced from PubChem (CID 11162143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).