(11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate

C24H19NO3 — CID 24870476

IUPAC(11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate
SMILESO=C(OC1=C2C=CC=C3CCN(C(=O)C1c1ccccc1)C32)c1ccccc1
InChIInChI=1S/C24H19NO3/c26-23-20(16-8-3-1-4-9-16)22(28-24(27)18-10-5-2-6-11-18)19-13-7-12-17-14-15-25(23)21(17)19/h1-13,20-21H,14-15H2
InChIKeyFGMYBDTZWKYKQO-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.99
Rot. Bonds3

About (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate

(11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate (PubChem CID 24870476) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate.

Molecular Properties

Compound Name(11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate
PubChem CID24870476
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name(11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate
SMILESO=C(OC1=C2C=CC=C3CCN(C(=O)C1c1ccccc1)C32)c1ccccc1
InChIInChI=1S/C24H19NO3/c26-23-20(16-8-3-1-4-9-16)22(28-24(27)18-10-5-2-6-11-18)19-13-7-12-17-14-15-25(23)21(17)19/h1-13,20-21H,14-15H2
InChIKeyFGMYBDTZWKYKQO-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate?
The IUPAC name of (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate (CID 24870476) is (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate.
What is the SMILES notation for (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate?
The canonical SMILES for (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate is O=C(OC1=C2C=CC=C3CCN(C(=O)C1c1ccccc1)C32)c1ccccc1.
What is the InChIKey of (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate?
The InChIKey is FGMYBDTZWKYKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-23-20(16-8-3-1-4-9-16)22(28-24(27)18-10-5-2-6-11-18)19-13-7-12-17-14-15-25(23)21(17)19/h1-13,20-21H,14-15H2.
What are the key properties of (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate?
(11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate has a molecular weight of 369.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11-oxo-10-phenyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8-trien-9-yl) benzoate is sourced from PubChem (CID 24870476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).