methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate

C19H13NO3 — CID 10935568

IUPACmethyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccccc3)cc(=O)c3cccc1n23
InChIInChI=1S/C19H13NO3/c1-23-19(22)14-10-17-13(12-6-3-2-4-7-12)11-18(21)16-9-5-8-15(14)20(16)17/h2-11H,1H3
InChIKeyUWDZDWVIUBXKRB-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.34
Rot. Bonds2

About methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate

methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate (PubChem CID 10935568) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
PubChem CID10935568
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Namemethyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate
SMILESCOC(=O)c1cc2c(-c3ccccc3)cc(=O)c3cccc1n23
InChIInChI=1S/C19H13NO3/c1-23-19(22)14-10-17-13(12-6-3-2-4-7-12)11-18(21)16-9-5-8-15(14)20(16)17/h2-11H,1H3
InChIKeyUWDZDWVIUBXKRB-UHFFFAOYSA-N
XLogP3.34
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate?
The IUPAC name of methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate (CID 10935568) is methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate.
What is the SMILES notation for methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate?
The canonical SMILES for methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate is COC(=O)c1cc2c(-c3ccccc3)cc(=O)c3cccc1n23.
What is the InChIKey of methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate?
The InChIKey is UWDZDWVIUBXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-23-19(22)14-10-17-13(12-6-3-2-4-7-12)11-18(21)16-9-5-8-15(14)20(16)17/h2-11H,1H3.
What are the key properties of methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate?
methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-oxo-5-phenyl-12-azatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-2-carboxylate is sourced from PubChem (CID 10935568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).